methyl 4-(3-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-(isobutyrylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C(C)C)C(=O)OC)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C(C)C)C(=O)OC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-9(2)15(20)19-16-14(17(21)22-4)13(10(3)23-16)11-6-5-7-12(18)8-11/h5-9H,1-4H3,(H,19,20)