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

Systemtic Name: ethyl 1-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S2/c1-3-26-17(25)14-9-11-23(12-10-14)16(24)13(2)27-19-22-21-18(28-19)20-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,21)