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

Systemtic Name: 4-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid CAS Name: 4-[[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]butyric acid Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H15N3O3S2/c1-9-2-4-10(5-3-9)8-21-14-17-16-13(22-14)15-11(18)6-7-12(19)20/h2-5H,6-8H2,1H3,(H,19,20)(H,15,16,18)