ethyl 1-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S3/c1-2-24-16(23)13-7-6-10-20(11-13)15(22)12-26-17-19-21(18(25)27-17)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3