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

Systemtic Name: methyl 2-(butanoylamino)-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(butanoylamino)-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[(4-chloroanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butanoylamino)-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-butyramido-5-[(4-chlorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O4S/c1-4-5-13(22)21-17-14(18(24)25-3)10(2)15(26-17)16(23)20-12-8-6-11(19)7-9-12/h6-9H,4-5H2,1-3H3,(H,20,23)(H,21,22)