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

Systemtic Name: ethyl 2-methyl-5-[[(E)-3-phenylprop-2-enoyl]-(phenylsulfonyl)amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[benzenesulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[benzenesulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl-[(E)-3-phenylacryloyl]amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C27H23NO6S MolecularWeight: 489.53962

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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=CC=C4)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=CC=C4)C

InChI

InChI=1S/C27H23NO6S/c1-3-33-27(30)26-19(2)34-24-16-15-21(18-23(24)26)28(35(31,32)22-12-8-5-9-13-22)25(29)17-14-20-10-6-4-7-11-20/h4-18H,3H2,1-2H3/b17-14+