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

Systemtic Name: ethyl 2-(butanoylamino)-5-[(3-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(butanoylamino)-5-[(3-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoylamino)-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-butyramido-5-[(3-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-4-7-14(23)22-18-15(19(25)26-5-2)11(3)16(27-18)17(24)21-13-9-6-8-12(20)10-13/h6,8-10H,4-5,7H2,1-3H3,(H,21,24)(H,22,23)