ethyl 2-[(4-butoxyphenyl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(4-butoxybenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(4-butoxybenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(4-butoxybenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C21H25NO5S/c1-5-7-12-27-16-10-8-15(9-11-16)19(24)22-20-17(21(25)26-6-2)13(3)18(28-20)14(4)23/h8-11H,5-7,12H2,1-4H3,(H,22,24)