2-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(3-chlorobenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C14H13ClN2O3S MolecularWeight: 324.78262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C14H13ClN2O3S/c1-8-13(14(19)20)21-12(17-8)6-11(18)16-7-9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(H,16,18)(H,19,20)