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

Systemtic Name: methyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[1,3-benzothiazol-2-yl(cyano)methyl]butanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3S/c1-8(19-20-15(17)22)12(14(21)23-2)9(7-16)13-18-10-5-3-4-6-11(10)24-13/h3-6,9,12H,1-2H3,(H3,17,20,22)/b19-8+