[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C19H23N3O3S/c1-13-6-5-7-14(2)22(13)18(23)11-25-19(24)12-26-17-10-20-15-8-3-4-9-16(15)21-17/h3-4,8-10,13-14H,5-7,11-12H2,1-2H3