[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H24N2O4S/c1-16(30)29-26-23(19-12-6-8-14-22(19)34-26)27(32)33-25(17-9-3-2-4-10-17)24(31)20-15-28-21-13-7-5-11-18(20)21/h2-5,7,9-11,13,15,25,28H,6,8,12,14H2,1H3,(H,29,30)