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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-pentoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(4-pentoxybenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(4-pentoxyphenyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-pentoxybenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(4-amoxybenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-6-7-12-27-16-10-8-15(9-11-16)19(24)23-20-17(13-22)14(3)18(28-20)21(25)26-5-2/h8-11H,4-7,12H2,1-3H3,(H,23,24)