(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O4S/c1-28-16-8-6-14-10-15(20(21)22-17(14)11-16)12-27-19(24)9-7-13-4-2-3-5-18(13)23(25)26/h2-11H,12H2,1H3/b9-7+