(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O3S/c1-14(26)24-20(10-15-6-4-3-5-7-15)22(27)28-13-17-11-16-8-9-18(29-2)12-19(16)25-21(17)23/h3-12H,13H2,1-2H3,(H,24,26)/b20-10-