methyl 2-[4-oxidanylidene-2-(quinolin-2-ylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-(quinolin-2-ylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-(2-quinolylmethylsulfanyl)-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-(2-quinolinylmethylthio)-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-(quinolin-2-ylmethylsulfanyl)-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-(2-quinolylmethylthio)-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H15N3O3S/c1-23-16(22)9-13-8-15(21)20-17(19-13)24-10-12-7-6-11-4-2-3-5-14(11)18-12/h2-8H,9-10H2,1H3,(H,19,20,21)