[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C17H22N2O4S/c1-12-5-4-8-19(9-12)16(21)10-23-17(22)13-6-2-3-7-14(13)24-11-15(18)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,18,20)