methyl 2-[2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H13ClN4O4S MolecularWeight: 392.81682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H13ClN4O4S/c1-25-15(24)6-11-5-13(22)21-16(19-11)26-8-14(23)20-12-4-10(17)3-2-9(12)7-18/h2-5H,6,8H2,1H3,(H,20,23)(H,19,21,22)