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

Systemtic Name: ethyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H30N2O3S2 MolecularWeight: 542.7115

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O3S2/c1-2-36-31(35)27-25-17-16-22(20-10-5-3-6-11-20)18-26(25)38-30(27)33-29(34)28(21-12-7-4-8-13-21)37-24-15-9-14-23(32)19-24/h3-15,19,22,28H,2,16-18,32H2,1H3,(H,33,34)