3-ethylsulfanyl-6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-ethylsulfanyl-6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-ethylsulfanyl-6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-(ethylthio)-6-methyl-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-ethylsulfanyl-6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-(ethylthio)-6-methyl-2-phenyl-cinchoninate Formula: C19H16NO2S- MolecularWeight: 322.40084

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCSC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO2S/c1-3-23-18-16(19(21)22)14-11-12(2)9-10-15(14)20-17(18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,21,22)/p-1