[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCCCC2C(=O)N

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCCC[C@@H]2C(=O)N

InChI

InChI=1S/C20H27N3O5S/c1-13(2)22-17(24)12-29-16-9-4-3-7-14(16)20(27)28-11-18(25)23-10-6-5-8-15(23)19(21)26/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3,(H2,21,26)(H,22,24)/t15-/m1/s1