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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H26N2O6S/c1-6-27-16-10-14(11-17(28-7-2)18(16)29-8-3)20(25)24-21-15(12-23)13(5)19(31-21)22(26)30-9-4/h10-11H,6-9H2,1-5H3,(H,24,25)