[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C19H19N3O5S3 MolecularWeight: 465.56626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N3O5S3/c23-16(21-19-20-14-4-1-2-5-15(14)29-19)12-27-18(24)13-7-9-22(10-8-13)30(25,26)17-6-3-11-28-17/h1-6,11,13H,7-10,12H2,(H,20,21,23)