[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C20H23NO3S/c1-12-4-7-16(8-5-12)21-19(22)14(3)24-20(23)18-11-15-10-13(2)6-9-17(15)25-18/h4-5,7-8,11,13-14H,6,9-10H2,1-3H3,(H,21,22)