(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O5S/c1-27-14-5-2-11-8-12(18(19)20-15(11)9-14)10-25-17(22)7-4-13-3-6-16(26-13)21(23)24/h2-9H,10H2,1H3/b7-4+