[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C13H13N3O3S2/c1-8-2-4-9(5-3-8)10(17)6-19-11(18)7-20-13-16-15-12(14)21-13/h2-5H,6-7H2,1H3,(H2,14,15)