[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)nipecotic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H26N4O4S/c1-13(2)10-21-19(27)23-17(25)12-28-18(26)14-6-5-9-24(11-14)20-22-15-7-3-4-8-16(15)29-20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H2,21,23,25,27)