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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxopropyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]propanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O5S2/c1-14-20(25(32)33-4)24(35-21(14)23(31)27-17-9-6-5-7-10-17)28-22(30)15(2)34-19-12-8-11-18(13-19)26-16(3)29/h5-13,15H,1-4H3,(H,26,29)(H,27,31)(H,28,30)