[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H21NO6S/c1-3-26-17-10-7-15(8-11-17)9-12-20(23)27-14-19(22)21-16-5-4-6-18(13-16)28(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22)/b12-9+