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

Systemtic Name: methyl 3-[[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(E)-3-(6-ethoxy-3-methyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)NC3=C(SC=C3)C(=O)OC)/C

InChI

InChI=1S/C21H21NO5S/c1-5-26-17-10-18-15(13(3)11-27-18)9-14(17)12(2)8-19(23)22-16-6-7-28-20(16)21(24)25-4/h6-11H,5H2,1-4H3,(H,22,23)/b12-8+