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

Systemtic Name: ethyl 2-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2-phenyl-1H-indol-3-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3S2/c1-2-32-27(31)23-19-13-7-9-15-21(19)34-26(23)29-22(30)16-33-25-18-12-6-8-14-20(18)28-24(25)17-10-4-3-5-11-17/h3-6,8,10-12,14,28H,2,7,9,13,15-16H2,1H3,(H,29,30)