methyl (3Z)-3-(aminocarbonylhydrazinylidene)-2-(1,3-benzoxazol-2-ylsulfanyl)butanoate

Systemtic Name: methyl (3Z)-3-(aminocarbonylhydrazinylidene)-2-(1,3-benzoxazol-2-ylsulfanyl)butanoate Openeye Name: methyl (3Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(carbamoylhydrazono)butanoate CAS Name: (3Z)-2-(1,3-benzoxazol-2-ylthio)-3-(carbamoylhydrazinylidene)butanoic acid methyl ester IUPAC Name: methyl (3Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(carbamoylhydrazinylidene)butanoate Traditional Name: (3Z)-2-(1,3-benzoxazol-2-ylthio)-3-semicarbazono-butyric acid methyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)C(C(=O)OC)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

C/C(=N/NC(=O)N)/C(C(=O)OC)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H14N4O4S/c1-7(16-17-12(14)19)10(11(18)20-2)22-13-15-8-5-3-4-6-9(8)21-13/h3-6,10H,1-2H3,(H3,14,17,19)/b16-7-