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

Systemtic Name: ethyl 4-[[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(4-tert-butylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyric acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-5-25-16(24)11-10-15(23)20-17-21-22-18(27-17)26-12-13-6-8-14(9-7-13)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,21,23)