[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17N3O4S2/c23-16(21-22-18(25)13-6-2-1-3-7-13)12-26-17(24)10-11-27-19-20-14-8-4-5-9-15(14)28-19/h1-9H,10-12H2,(H,21,23)(H,22,25)