(2-oxidanylidene-2-phenylazanyl-ethyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H17NO3S/c23-19(22-16-7-2-1-3-8-16)13-25-21(24)18-12-15-11-10-14-6-4-5-9-17(14)20(15)26-18/h1-9,12H,10-11,13H2,(H,22,23)