4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]hydrazo]-4-oxobutanoate IUPAC Name: 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[2-(1,3-benzoxazol-2-ylthio)acetyl]hydrazino]-4-keto-butyrate Formula: C13H12N3O5S- MolecularWeight: 322.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-10(5-6-12(19)20)15-16-11(18)7-22-13-14-8-3-1-2-4-9(8)21-13/h1-4H,5-7H2,(H,15,17)(H,16,18)(H,19,20)/p-1