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

Systemtic Name: ethyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylacryloyl]amino]benzofuran-3-carboxylic acid ethyl ester Formula: C27H22N2O8S MolecularWeight: 534.53718

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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)[N+](=O)[O-])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)[N+](=O)[O-])C

InChI

InChI=1S/C27H22N2O8S/c1-3-36-27(31)26-18(2)37-24-14-13-20(17-23(24)26)28(25(30)15-12-19-8-5-4-6-9-19)38(34,35)22-11-7-10-21(16-22)29(32)33/h4-17H,3H2,1-2H3/b15-12+