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

Systemtic Name: ethyl 1-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S2/c1-2-25-16(24)13-7-6-10-22(11-13)15(23)12-26-18-21-20-17(27-18)19-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,19,20)