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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-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-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C22H23NO5S/c1-16-5-3-6-17(13-16)8-11-22(25)28-15-21(24)19-9-10-20-18(14-19)7-4-12-23(20)29(2,26)27/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3/b11-8+