ethyl (2Z,3E)-2-[(4-methylphenyl)sulfonylmethylidene]-3-(phenylcarbamoylhydrazinylidene)butanoate

Systemtic Name: ethyl (2Z,3E)-2-[(4-methylphenyl)sulfonylmethylidene]-3-(phenylcarbamoylhydrazinylidene)butanoate Openeye Name: ethyl (2Z,3E)-3-(phenylcarbamoylhydrazono)-2-(p-tolylsulfonylmethylene)butanoate CAS Name: (2Z,3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-[(4-methylphenyl)sulfonylmethylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2Z,3E)-2-[(4-methylphenyl)sulfonylmethylidene]-3-(phenylcarbamoylhydrazinylidene)butanoate Traditional Name: (Z)-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-tosyl-acrylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CS(=O)(=O)C1=CC=C(C=C1)C)C(=NNC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C(=C\S(=O)(=O)C1=CC=C(C=C1)C)/C(=N/NC(=O)NC2=CC=CC=C2)/C

InChI

InChI=1S/C21H23N3O5S/c1-4-29-20(25)19(14-30(27,28)18-12-10-15(2)11-13-18)16(3)23-24-21(26)22-17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H2,22,24,26)/b19-14-,23-16+