2-[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloro-3-methoxycarbonyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-carbomethoxy-4-chloro-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H13ClN3O4S- MolecularWeight: 366.79942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)[O-]

InChI

InChI=1S/C15H14ClN3O4S/c1-8-5-12(20)19-15(17-8)24-7-13(21)18-9-3-4-11(16)10(6-9)14(22)23-2/h3-6H,7H2,1-2H3,(H,18,21)(H,17,19,20)/p-1