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

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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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)OCC)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)OCC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C27H29N3O5S2/c1-5-21(36-20-14-10-13-19(15-20)28-17(4)31)24(32)30-26-22(27(34)35-6-2)16(3)23(37-26)25(33)29-18-11-8-7-9-12-18/h7-15,21H,5-6H2,1-4H3,(H,28,31)(H,29,33)(H,30,32)