methyl 3-[[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(E)-3-(6-ethoxy-2,3,7-trimethyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)/C(=C/C(=O)NC3=C(SC=C3)C(=O)OC)/C

InChI

InChI=1S/C23H25NO5S/c1-7-28-20-14(4)21-17(13(3)15(5)29-21)11-16(20)12(2)10-19(25)24-18-8-9-30-22(18)23(26)27-6/h8-11H,7H2,1-6H3,(H,24,25)/b12-10+