O-ethyl [2-oxidanylidene-3-(phenylmethyl)-3-azaspiro[4.6]undecan-11-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-oxidanylidene-3-(phenylmethyl)-3-azaspiro[4.6]undecan-11-yl]sulfanylmethanethioate Openeye Name: O-ethyl (3-benzyl-2-oxo-3-azaspiro[4.6]undecan-11-yl)sulfanylmethanethioate CAS Name: [[2-oxo-3-(phenylmethyl)-3-azaspiro[4.6]undecan-11-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (3-benzyl-2-oxo-3-azaspiro[4.6]undecan-11-yl)sulfanylmethanethioate Traditional Name: [(3-benzyl-2-keto-3-azaspiro[4.6]undecan-11-yl)thio]methanethioic acid O-ethyl ester Formula: C20H27NO2S2 MolecularWeight: 377.56388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1CCCCCC12CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=S)SC1CCCCCC12CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27NO2S2/c1-2-23-19(24)25-17-11-7-4-8-12-20(17)13-18(22)21(15-20)14-16-9-5-3-6-10-16/h3,5-6,9-10,17H,2,4,7-8,11-15H2,1H3