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

Systemtic Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C27H28N2O4S2/c1-16-12-13-21-22(14-16)35-26(23(21)27(32)33-3)29-25(31)24(18-8-5-4-6-9-18)34-20-11-7-10-19(15-20)28-17(2)30/h4-11,15-16,24H,12-14H2,1-3H3,(H,28,30)(H,29,31)