methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C26H27N3O5S2/c1-5-20(35-19-13-9-12-18(14-19)27-16(3)30)23(31)29-25-21(26(33)34-4)15(2)22(36-25)24(32)28-17-10-7-6-8-11-17/h6-14,20H,5H2,1-4H3,(H,27,30)(H,28,32)(H,29,31)