(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate CAS Name: (E)-3-(1-methyl-2-pyrrolyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1-methylpyrrol-2-yl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CN1C=CC=C1/C=C/C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C19H17ClN2O2S/c1-22-9-3-4-15(22)6-8-18(23)24-12-14-10-13-5-7-16(25-2)11-17(13)21-19(14)20/h3-11H,12H2,1-2H3/b8-6+