methyl (2E)-2-[1-(4-methylphenyl)sulfonyl-5-phenyl-2,6-dihydropyridin-3-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[1-(4-methylphenyl)sulfonyl-5-phenyl-2,6-dihydropyridin-3-ylidene]ethanoate Openeye Name: methyl (2E)-2-[5-phenyl-1-(p-tolylsulfonyl)-2,6-dihydropyridin-3-ylidene]acetate CAS Name: (2E)-2-[1-(4-methylphenyl)sulfonyl-5-phenyl-2,6-dihydropyridin-3-ylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[1-(4-methylphenyl)sulfonyl-5-phenyl-2,6-dihydropyridin-3-ylidene]acetate Traditional Name: (2E)-2-(5-phenyl-1-tosyl-2,6-dihydropyridin-3-ylidene)acetic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC(=CC(=O)OC)C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C/C(=C\C(=O)OC)/C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-16-8-10-20(11-9-16)27(24,25)22-14-17(13-21(23)26-2)12-19(15-22)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3/b17-13+