[2-(butylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=CS1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=CS1)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21NO3S/c1-3-4-10-19-16(20)12-22-18(21)17-15(9-11-23-17)14-7-5-13(2)6-8-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,19,20)