[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C23H25NO7S/c1-29-19-8-10-22(30-2)18(14-19)7-11-23(26)31-15-21(25)17-6-9-20-16(13-17)5-4-12-24(20)32(3,27)28/h6-11,13-14H,4-5,12,15H2,1-3H3/b11-7+