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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H26N2O4S2/c1-16(29)27-19-9-6-10-20(14-19)33-15-23(30)28-25-24(26(31)32-2)21-12-11-18(13-22(21)34-25)17-7-4-3-5-8-17/h3-10,14,18H,11-13,15H2,1-2H3,(H,27,29)(H,28,30)