[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N)C

InChI

InChI=1S/C18H24N2O4S/c1-12-7-13(2)9-20(8-12)17(22)10-24-18(23)14-5-3-4-6-15(14)25-11-16(19)21/h3-6,12-13H,7-11H2,1-2H3,(H2,19,21)