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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CSC(=N2)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CSC(=N2)NCCC(C)C

InChI

InChI=1S/C18H22ClN3O3S/c1-11(2)7-8-20-18-22-15(10-26-18)17(24)25-9-16(23)21-14-6-4-5-13(19)12(14)3/h4-6,10-11H,7-9H2,1-3H3,(H,20,22)(H,21,23)