ethyl 4-aminocarbonyl-3-methyl-5-[(3-pentoxyphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[(3-pentoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-methyl-5-[(3-pentoxybenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[oxo-(3-pentoxyphenyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-methyl-5-[(3-pentoxybenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(3-amoxybenzoyl)amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N

InChI

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