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

Systemtic Name: 4-[[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[[5-(p-tolylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate CAS Name: 4-[[5-[[(4-methylphenyl)thio]methyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[(p-tolylthio)methyl]-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=C(C=C1)SCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

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