ethyl 4-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyric acid ethyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N4O3S2/c1-2-23-14(22)8-7-13(21)18-15-19-20-16(25-15)24-10-12-5-3-11(9-17)4-6-12/h3-6H,2,7-8,10H2,1H3,(H,18,19,21)