ethyl 2-chloranyl-7-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate

Systemtic Name: ethyl 2-chloranyl-7-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate Openeye Name: ethyl 2-chloro-7-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate CAS Name: 2-chloro-7-[(4-methoxyphenyl)methylthio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-7-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate Traditional Name: 2-chloro-7-(p-anisylthio)quinoline-3-carboxylic acid ethyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)SCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)SCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C20H18ClNO3S/c1-3-25-20(23)17-10-14-6-9-16(11-18(14)22-19(17)21)26-12-13-4-7-15(24-2)8-5-13/h4-11H,3,12H2,1-2H3