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

Systemtic Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C30H34N2O4S2 MolecularWeight: 550.73196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C30H34N2O4S2/c1-18(33)31-21-12-9-13-22(17-21)37-26(19-10-7-6-8-11-19)27(34)32-28-25(29(35)36-5)23-15-14-20(30(2,3)4)16-24(23)38-28/h6-13,17,20,26H,14-16H2,1-5H3,(H,31,33)(H,32,34)