[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-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-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)nipecotic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O4S/c1-15-9-10-19(29-2)18(12-15)24-21(27)14-30-22(28)16-6-5-11-26(13-16)23-25-17-7-3-4-8-20(17)31-23/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,24,27)