ethyl 7-oxidanylidene-2-(2-phenylsulfanylethanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-2-(2-phenylsulfanylethanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-oxo-2-[(2-phenylsulfanylacetyl)amino]-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-oxo-2-[[1-oxo-2-(phenylthio)ethyl]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-2-[(2-phenylsulfanylacetyl)amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-keto-2-[[2-(phenylthio)acetyl]amino]-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S2/c1-2-24-19(23)16-13-9-6-10-14(21)17(13)26-18(16)20-15(22)11-25-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,20,22)