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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[3-(2-methylpropoxy)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3-isobutoxybenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3-isobutoxybenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)OCC(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)OCC(C)C)C#N)C

InChI

InChI=1S/C20H22N2O4S/c1-5-25-20(24)17-13(4)16(10-21)19(27-17)22-18(23)14-7-6-8-15(9-14)26-11-12(2)3/h6-9,12H,5,11H2,1-4H3,(H,22,23)