methyl 2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-acetyl-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)C(=O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)C(=O)C

InChI

InChI=1S/C23H19NO5S/c1-12-19(23(27)28-3)22(30-21(12)13(2)25)24-18(26)10-15-11-29-17-9-8-14-6-4-5-7-16(14)20(15)17/h4-9,11H,10H2,1-3H3,(H,24,26)