[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(5-methyl-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-methyl-2-furanyl)-2-propenoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-methyl-2-furyl)acrylic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-15-7-8-17(28-15)9-10-20(24)27-14-19(23)21-16-5-4-6-18(13-16)29(25,26)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,23)/b10-9+