ethyl 6-phenyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-phenyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-phenyl-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-phenyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-phenyl-2-[[2-phenyl-2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H29NO3S2 MolecularWeight: 527.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C31H29NO3S2/c1-2-35-31(34)27-25-19-18-23(21-12-6-3-7-13-21)20-26(25)37-30(27)32-29(33)28(22-14-8-4-9-15-22)36-24-16-10-5-11-17-24/h3-17,23,28H,2,18-20H2,1H3,(H,32,33)