[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [4-acetyl-2-[(2-pyrimidinylthio)methyl]phenyl] ester IUPAC Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [4-acetyl-2-[(2-pyrimidylthio)methyl]phenyl] ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=O)NC3=CC=CC=C32)CSC4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=O)NC3=CC=CC=C32)CSC4=NC=CC=N4

InChI

InChI=1S/C23H17N3O4S/c1-14(27)15-7-8-20(16(11-15)13-31-23-24-9-4-10-25-23)30-22(29)18-12-21(28)26-19-6-3-2-5-17(18)19/h2-12H,13H2,1H3,(H,26,28)