ethyl 2-(butanoylamino)-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(butanoylamino)-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-(butanoylamino)-4-methyl-5-(m-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(3-methylanilino)-oxomethyl]-2-(1-oxobutylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoylamino)-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-butyramido-4-methyl-5-(m-tolylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)C)C)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)C)C)C(=O)OCC

InChI

InChI=1S/C20H24N2O4S/c1-5-8-15(23)22-19-16(20(25)26-6-2)13(4)17(27-19)18(24)21-14-10-7-9-12(3)11-14/h7,9-11H,5-6,8H2,1-4H3,(H,21,24)(H,22,23)