methyl 2-methyl-5-[(E)-3-oxidanylidene-3-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]prop-1-enyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(E)-3-oxidanylidene-3-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]prop-1-enyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)prop-1-enyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)anilino]prop-1-enyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)prop-1-enyl]furan-3-carboxylate Traditional Name: 5-[(E)-3-keto-3-(4-pyrrolidinosulfonylanilino)prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14-18(20(24)27-2)13-16(28-14)7-10-19(23)21-15-5-8-17(9-6-15)29(25,26)22-11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)/b10-7+