phenacyl 2-methyl-3-phenylsulfanyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-methyl-3-phenylsulfanyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-methyl-3-phenylsulfanyl-quinoline-4-carboxylate CAS Name: 2-methyl-3-(phenylthio)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-methyl-3-phenylsulfanylquinoline-4-carboxylate Traditional Name: 2-methyl-3-(phenylthio)cinchoninic acid phenacyl ester Formula: C25H19NO3S MolecularWeight: 413.48826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1SC3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1SC3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19NO3S/c1-17-24(30-19-12-6-3-7-13-19)23(20-14-8-9-15-21(20)26-17)25(28)29-16-22(27)18-10-4-2-5-11-18/h2-15H,16H2,1H3