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

Systemtic Name: methyl (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate Openeye Name: methyl (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(phenylcarbamoylhydrazono)butanoate CAS Name: (3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-[1,3-benzothiazol-2-yl(cyano)methyl]butanoic acid methyl ester IUPAC Name: methyl (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate Traditional Name: (3E)-2-[1,3-benzothiazol-2-yl(cyano)methyl]-3-(phenylcarbamoylhydrazono)butyric acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)NC1=CC=CC=C1)C(C(C#N)C2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

C/C(=N\NC(=O)NC1=CC=CC=C1)/C(C(C#N)C2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C21H19N5O3S/c1-13(25-26-21(28)23-14-8-4-3-5-9-14)18(20(27)29-2)15(12-22)19-24-16-10-6-7-11-17(16)30-19/h3-11,15,18H,1-2H3,(H2,23,26,28)/b25-13+