S-[2,6-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] ethanethioate

Systemtic Name: S-[2,6-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] ethanethioate Openeye Name: S-[2,6-dioxo-1-[(4-phenoxyphenyl)methyl]-3-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[2,6-dioxo-1-[(4-phenoxyphenyl)methyl]-3-piperidinyl] ester IUPAC Name: S-[2,6-dioxo-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2,6-diketo-1-(4-phenoxybenzyl)-3-piperidyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCC(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CCC(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S/c1-14(22)26-18-11-12-19(23)21(20(18)24)13-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3