ethyl 2-[azanyl(benzamido)methylidene]-4-(4-methylphenyl)sulfonyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[azanyl(benzamido)methylidene]-4-(4-methylphenyl)sulfonyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[amino(benzamido)methylene]-3-oxo-4-(p-tolylsulfonyl)butanoate CAS Name: 2-[amino(benzamido)methylidene]-4-(4-methylphenyl)sulfonyl-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[amino(benzamido)methylidene]-4-(4-methylphenyl)sulfonyl-3-oxobutanoate Traditional Name: 3-amino-3-benzamido-2-(2-tosylacetyl)acrylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)C(=O)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)C(=O)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H22N2O6S/c1-3-29-21(26)18(19(22)23-20(25)15-7-5-4-6-8-15)17(24)13-30(27,28)16-11-9-14(2)10-12-16/h4-12H,3,13,22H2,1-2H3,(H,23,25)