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

Systemtic Name: ethyl 7-oxidanylidene-6-phenylsulfanyl-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-oxo-6-phenylsulfanyl-2-(propanoylamino)-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-oxo-2-(1-oxopropylamino)-6-(phenylthio)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-6-phenylsulfanyl-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-keto-6-(phenylthio)-2-propionamido-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)C(=O)C(CC2)SC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)C(=O)C(CC2)SC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H21NO4S2/c1-3-15(22)21-19-16(20(24)25-4-2)13-10-11-14(17(23)18(13)27-19)26-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3,(H,21,22)