[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H22N2O3S/c26-22(24-14-15-29-17-18-6-2-1-3-7-18)16-28-23(27)13-12-20-11-10-19-8-4-5-9-21(19)25-20/h1-13H,14-17H2,(H,24,26)/b13-12+