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

Systemtic Name: 8-chloranyl-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 8-chloro-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate CAS Name: 8-chloro-3-(ethylthio)-2-phenyl-4-quinolinecarboxylate IUPAC Name: 8-chloro-3-ethylsulfanyl-2-phenylquinoline-4-carboxylate Traditional Name: 8-chloro-3-(ethylthio)-2-phenyl-cinchoninate Formula: C18H13ClNO2S- MolecularWeight: 342.81932

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C2C(=C1C(=O)[O-])C=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCSC1=C(N=C2C(=C1C(=O)[O-])C=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H14ClNO2S/c1-2-23-17-14(18(21)22)12-9-6-10-13(19)16(12)20-15(17)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,21,22)/p-1