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

Systemtic Name: ethyl 1-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H23N3O3S3 MolecularWeight: 437.59922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S3/c1-3-25-17(24)14-9-11-21(12-10-14)16(23)13(2)27-18-20-22(19(26)28-18)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3