[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H15NO4S/c1-23-10-12-11-5-2-3-7-15(11)22-16(12)17(20)21-9-14(19)13-6-4-8-18-13/h2-8,18H,9-10H2,1H3