ethyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[1,3-benzothiazol-2-yl(cyano)methyl]butanoate

Systemtic Name: ethyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[1,3-benzothiazol-2-yl(cyano)methyl]butanoate Openeye Name: ethyl (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(carbamoylhydrazono)butanoate CAS Name: (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(carbamoylhydrazinylidene)butanoic acid ethyl ester IUPAC Name: ethyl (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(carbamoylhydrazinylidene)butanoate Traditional Name: (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-semicarbazono-butyric acid ethyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#N)C1=NC2=CC=CC=C2S1)C(=NNC(=O)N)C

Isomeric SMILES

CCOC(=O)C(C(C#N)C1=NC2=CC=CC=C2S1)/C(=N/NC(=O)N)/C

InChI

InChI=1S/C16H17N5O3S/c1-3-24-15(22)13(9(2)20-21-16(18)23)10(8-17)14-19-11-6-4-5-7-12(11)25-14/h4-7,10,13H,3H2,1-2H3,(H3,18,21,23)/b20-9+