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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-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-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)COC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-28(25,26)22-13-5-8-17-14-18(10-11-19(17)22)20(23)15-27-21(24)12-9-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3/b12-9+