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

Systemtic Name: methyl 3-[[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(SC=C1)C(=O)OC)C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

Isomeric SMILES

C/C(=C\C(=O)NC1=C(SC=C1)C(=O)OC)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21NO5S/c1-15(11-23(27)26-20-9-10-32-24(20)25(28)30-3)17-12-18-19(16-7-5-4-6-8-16)14-31-22(18)13-21(17)29-2/h4-14H,1-3H3,(H,26,27)/b15-11+