[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3S)-1-pyrrolidin-1-ylcarbonylpiperidine-3-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3S)-1-pyrrolidin-1-ylcarbonylpiperidine-3-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (3S)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo(1-pyrrolidinyl)methyl]-3-piperidinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (3S)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(pyrrolidine-1-carbonyl)nipecotic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C1)C(=O)N2CCC[C@@H](C2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H23N5O4S/c25-16(20-14-6-3-7-15-17(14)22-29-21-15)12-28-18(26)13-5-4-10-24(11-13)19(27)23-8-1-2-9-23/h3,6-7,13H,1-2,4-5,8-12H2,(H,20,25)/t13-/m0/s1