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

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C

InChI

InChI=1S/C17H18ClN3O5S/c1-4-26-16(23)14-9(2)19-17(24)21-15(14)27-8-13(22)20-11-7-10(18)5-6-12(11)25-3/h5-7H,4,8H2,1-3H3,(H,20,22)(H,19,21,24)