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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-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-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C=CC3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)/C=C/C3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-28-15-7-6-13-10-14(21(22)24-17(13)11-15)12-26-20(25)9-8-19-23-16-4-2-3-5-18(16)27-19/h2-11H,12H2,1H3/b9-8+