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

Systemtic Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C30H28N2O3S2 MolecularWeight: 528.68492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C30H28N2O3S2/c1-35-30(34)26-24-16-15-21(19-9-4-2-5-10-19)17-25(24)37-29(26)32-28(33)27(20-11-6-3-7-12-20)36-23-14-8-13-22(31)18-23/h2-14,18,21,27H,15-17,31H2,1H3,(H,32,33)