(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl quinoline-3-carboxylate

Systemtic Name: (6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl quinoline-3-carboxylate Openeye Name: (6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl quinoline-3-carboxylate CAS Name: 3-quinolinecarboxylic acid [(6-oxo-1H-pyrimidin-2-yl)thio]methyl ester IUPAC Name: (6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl quinoline-3-carboxylate Traditional Name: quinoline-3-carboxylic acid [(6-keto-1H-pyrimidin-2-yl)thio]methyl ester Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCSC3=NC=CC(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCSC3=NC=CC(=O)N3

InChI

InChI=1S/C15H11N3O3S/c19-13-5-6-16-15(18-13)22-9-21-14(20)11-7-10-3-1-2-4-12(10)17-8-11/h1-8H,9H2,(H,16,18,19)