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

Systemtic Name: ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C=CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)/C=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H25NO6S/c1-4-34-28(31)27-20(3)35-25-16-13-22(18-24(25)27)29(26(30)17-12-21-8-6-5-7-9-21)36(32,33)23-14-10-19(2)11-15-23/h5-18H,4H2,1-3H3/b17-12+