[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C21H23N3O5S3/c1-13-10-14(2)19-16(11-13)31-21(23-19)22-17(25)12-29-20(26)15-5-7-24(8-6-15)32(27,28)18-4-3-9-30-18/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,23,25)