[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CSC(=N2)NCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CSC(=N2)NCCC(C)C

InChI

InChI=1S/C18H23N3O3S/c1-12(2)8-9-19-18-21-15(11-25-18)17(23)24-10-16(22)20-14-7-5-4-6-13(14)3/h4-7,11-12H,8-10H2,1-3H3,(H,19,21)(H,20,22)