(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-nitrophenyl)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-nitrophenyl)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN2O4S/c1-27-15-7-6-12-8-14(19(20)21-16(12)10-15)11-26-18(23)9-13-4-2-3-5-17(13)22(24)25/h2-8,10H,9,11H2,1H3