[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H16ClN3O4S/c1-9-4-5-12(23-2)11(6-9)19-13(21)8-24-15(22)14-10(17)7-18-16(20-14)25-3/h4-7H,8H2,1-3H3,(H,19,21)