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

Systemtic Name: 4-[[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]butyrate Formula: C14H14N3O3S2- MolecularWeight: 336.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H15N3O3S2/c1-9-4-2-3-5-10(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)/p-1