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

Systemtic Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(propanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(propanoylamino)thiophene-3-carboxylate CAS Name: 5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-(1-oxopropylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(propanoylamino)thiophene-3-carboxylate Traditional Name: 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-propionamido-thiophene-3-carboxylic acid methyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)Cl)C)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)Cl)C)C(=O)OC

InChI

InChI=1S/C17H17ClN2O4S/c1-4-12(21)20-16-13(17(23)24-3)9(2)14(25-16)15(22)19-11-7-5-6-10(18)8-11/h5-8H,4H2,1-3H3,(H,19,22)(H,20,21)