ethyl 2-acetamido-6-methanoyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-methanoyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-formyl-7-phenylsulfanyl-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-formyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C=O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C=O)NC(=O)C

InChI

InChI=1S/C20H19NO4S2/c1-3-25-20(24)16-15-10-9-13(11-22)17(26-14-7-5-4-6-8-14)18(15)27-19(16)21-12(2)23/h4-8,11H,3,9-10H2,1-2H3,(H,21,23)