ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate

C14H15NO4S — CID 173419854

IUPACethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1csc2ccc(OC)cc12
InChIInChI=1S/C14H15NO4S/c1-4-19-14(16)13(15-18-3)11-8-20-12-6-5-9(17-2)7-10(11)12/h5-8H,4H2,1-3H3
InChIKeyLWDUDYIKDVQDGO-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.82
Rot. Bonds5

About ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate

ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate (PubChem CID 173419854) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
PubChem CID173419854
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1csc2ccc(OC)cc12
InChIInChI=1S/C14H15NO4S/c1-4-19-14(16)13(15-18-3)11-8-20-12-6-5-9(17-2)7-10(11)12/h5-8H,4H2,1-3H3
InChIKeyLWDUDYIKDVQDGO-UHFFFAOYSA-N
XLogP2.82
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate (CID 173419854) is ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1csc2ccc(OC)cc12.
What is the InChIKey of ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate?
The InChIKey is LWDUDYIKDVQDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-19-14(16)13(15-18-3)11-8-20-12-6-5-9(17-2)7-10(11)12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate?
ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate has a molecular weight of 293.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 173419854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).