3-ethylsulfanyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-ethylsulfanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-ethylsulfanyl-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-(ethylthio)-8-methyl-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-ethylsulfanyl-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-(ethylthio)-8-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/c1-3-23-18-15(19(21)22)14-11-7-8-12(2)16(14)20-17(18)13-9-5-4-6-10-13/h4-11H,3H2,1-2H3,(H,21,22)/p-1