ethyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]nipecotic acid ethyl ester Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C16H20N2O2S2/c1-2-20-15(19)12-6-5-9-17(10-12)11-18-13-7-3-4-8-14(13)22-16(18)21/h3-4,7-8,12H,2,5-6,9-11H2,1H3