ethyl 4-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H21N5O4S2/c1-2-24-16(23)21-7-5-20(6-8-21)14-18-19-15(27-14)26-11-13(22)17-10-12-4-3-9-25-12/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,22)