[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] (E)-3-(7-methoxybenzofuran-2-yl)prop-2-enoate CAS Name: (E)-3-(7-methoxy-2-benzofuranyl)-2-propenoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(7-methoxybenzofuran-2-yl)acrylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H19NO7S MolecularWeight: 429.44306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C=CC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)/C=C/C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H19NO7S/c1-27-18-5-3-4-14-12-16(29-21(14)18)8-11-20(24)28-13-19(23)22-15-6-9-17(10-7-15)30(2,25)26/h3-12H,13H2,1-2H3,(H,22,23)/b11-8+