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

Systemtic Name: 4-[[5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[[5-[2-(p-tolyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]butanoate CAS Name: 4-[[5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[2-(p-tolyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]butyrate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-10-2-4-11(5-3-10)6-8-13-17-18-15(22-13)16-12(19)7-9-14(20)21/h2-5H,6-9H2,1H3,(H,20,21)(H,16,18,19)/p-1