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

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(isobutyrylamino)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C(C)C

InChI

InChI=1S/C18H20ClNO3S/c1-5-23-18(22)15-14(12-6-8-13(19)9-7-12)11(4)24-17(15)20-16(21)10(2)3/h6-10H,5H2,1-4H3,(H,20,21)