1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]isonipecotic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H20N2O4S2/c1-2-23-12-3-4-13-14(9-12)25-17(18-13)24-10-15(20)19-7-5-11(6-8-19)16(21)22/h3-4,9,11H,2,5-8,10H2,1H3,(H,21,22)