methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[[(E)-3-phenylprop-2-enoyl]-(p-tolylsulfonyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[[(E)-3-phenylacryloyl]-tosyl-amino]benzofuran-3-carboxylic acid methyl ester Formula: C27H23NO6S MolecularWeight: 489.53962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H23NO6S/c1-18-9-13-22(14-10-18)35(31,32)28(25(29)16-11-20-7-5-4-6-8-20)21-12-15-24-23(17-21)26(19(2)34-24)27(30)33-3/h4-17H,1-3H3/b16-11+