ethyl 4-(4-chlorophenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3S/c1-4-23-18(22)16-14(12-5-7-13(19)8-6-12)10-24-17(16)20-15(21)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)