(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)O

InChI

InChI=1S/C21H18ClNO4S/c1-26-19-9-13(3-7-18(19)24)4-8-20(25)27-12-15-10-14-5-6-16(28-2)11-17(14)23-21(15)22/h3-11,24H,12H2,1-2H3/b8-4+