(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C=CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H16ClNO4S/c1-28-16-5-4-14-9-15(21(22)23-17(14)10-16)11-25-20(24)7-3-13-2-6-18-19(8-13)27-12-26-18/h2-10H,11-12H2,1H3/b7-3+