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

Systemtic Name: [2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxo-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-(1-ethyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(1-ethyl-2-phenyl-indol-3-yl)-2-keto-ethyl] ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=C(SC5=C4CCCC5)NC(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=C(SC5=C4CCCC5)NC(=O)C

InChI

InChI=1S/C29H28N2O4S/c1-3-31-22-15-9-7-13-20(22)25(27(31)19-11-5-4-6-12-19)23(33)17-35-29(34)26-21-14-8-10-16-24(21)36-28(26)30-18(2)32/h4-7,9,11-13,15H,3,8,10,14,16-17H2,1-2H3,(H,30,32)