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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (2-amino-2-keto-1-phenyl-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)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H17NO3S/c22-20(23)18(14-7-2-1-3-8-14)25-21(24)17-12-15-11-10-13-6-4-5-9-16(13)19(15)26-17/h1-9,12,18H,10-11H2,(H2,22,23)