methyl 2-[2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-24-12-4-3-9(5-11(12)17)18-14(22)8-26-16-19-10(6-13(21)20-16)7-15(23)25-2/h3-6H,7-8H2,1-2H3,(H,18,22)(H,19,20,21)