ethyl 1-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(4-chloro-2-methyl-anilino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C=C(C=C2)Cl)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C=C(C=C2)Cl)C)SC

InChI

InChI=1S/C17H18ClN3O4S/c1-4-25-16(24)12-8-19-17(26-3)21(15(12)23)9-14(22)20-13-6-5-11(18)7-10(13)2/h5-8H,4,9H2,1-3H3,(H,20,22)