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

Systemtic Name: ethyl 5-[(3-butoxyphenyl)carbonylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-butoxybenzoyl)amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate CAS Name: 5-[[(3-butoxyphenyl)-oxomethyl]amino]-3-methyl-4-(methylcarbamoyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-butoxybenzoyl)amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-[(3-butoxybenzoyl)amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-5-7-11-28-15-10-8-9-14(12-15)18(24)23-20-16(19(25)22-4)13(3)17(29-20)21(26)27-6-2/h8-10,12H,5-7,11H2,1-4H3,(H,22,25)(H,23,24)