methyl 3-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)NC4=C(SC=C4)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)NC4=C(SC=C4)C(=O)OC)/C

InChI

InChI=1S/C26H23NO5S/c1-4-31-22-14-23-19(20(15-32-23)17-8-6-5-7-9-17)13-18(22)16(2)12-24(28)27-21-10-11-33-25(21)26(29)30-3/h5-15H,4H2,1-3H3,(H,27,28)/b16-12+