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

Systemtic Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H24N2O3S2 MolecularWeight: 452.58896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)N

InChI

InChI=1S/C24H24N2O3S2/c1-29-24(28)20-18-12-5-6-13-19(18)31-23(20)26-22(27)21(15-8-3-2-4-9-15)30-17-11-7-10-16(25)14-17/h2-4,7-11,14,21H,5-6,12-13,25H2,1H3,(H,26,27)