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

Systemtic Name: ethyl 4-[[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]butyric acid ethyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-3-22-14(21)8-7-13(20)17-15-18-19-16(24-15)23-10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,18,20)