[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] ester Formula: C20H17ClN2O5S2 MolecularWeight: 464.94238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H17ClN2O5S2/c1-12-3-5-13(6-4-12)17-11-29-20(22-17)23-18(24)10-28-19(25)15-9-14(30(2,26)27)7-8-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,23,24)