1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]isonipecotic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H19N3O3S/c1-10-2-3-12-13(8-10)23-16(17-12)18-14(20)9-19-6-4-11(5-7-19)15(21)22/h2-3,8,11H,4-7,9H2,1H3,(H,21,22)(H,17,18,20)