[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C18H22N2O4S2/c19-16(22)12-5-7-20(8-6-12)15(21)11-24-17(23)13-1-3-14(4-2-13)18-25-9-10-26-18/h1-4,12,18H,5-11H2,(H2,19,22)