O4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl] ester O1-ethyl ester IUPAC Name: 4-O-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl] ester O1-ethyl ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl

InChI

InChI=1S/C17H16ClNO4S/c1-3-22-15(20)6-7-16(21)23-10-12-8-11-4-5-13(24-2)9-14(11)19-17(12)18/h4-9H,3,10H2,1-2H3/b7-6+