(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-acetamidobenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-acetamidobenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-12(24)22-16-6-3-13(4-7-16)20(25)26-11-15-9-14-5-8-17(27-2)10-18(14)23-19(15)21/h3-10H,11H2,1-2H3,(H,22,24)