[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C15H14ClN3O3S/c1-9-5-3-4-6-11(9)18-12(20)8-22-14(21)13-10(16)7-17-15(19-13)23-2/h3-7H,8H2,1-2H3,(H,18,20)