ethyl 4-cyano-3-methyl-5-[4-(4-propan-2-ylphenoxy)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[4-(4-propan-2-ylphenoxy)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(4-isopropylphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-4-(4-propan-2-ylphenoxy)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[4-(4-propan-2-ylphenoxy)butanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[4-(4-isopropylphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)C)C#N)C

InChI

InChI=1S/C22H26N2O4S/c1-5-27-22(26)20-15(4)18(13-23)21(29-20)24-19(25)7-6-12-28-17-10-8-16(9-11-17)14(2)3/h8-11,14H,5-7,12H2,1-4H3,(H,24,25)