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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-[(E)-3-phenylacryloyl]amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C27H21ClN2O8S MolecularWeight: 568.98224

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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)Cl)[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(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C27H21ClN2O8S/c1-3-37-27(32)26-17(2)38-24-13-10-19(15-21(24)26)29(25(31)14-9-18-7-5-4-6-8-18)39(35,36)20-11-12-22(28)23(16-20)30(33)34/h4-16H,3H2,1-2H3/b14-9+