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

Systemtic Name: ethyl 4-cyano-5-[4-(2-methoxyphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(2-methoxyphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-(2-methoxyphenoxy)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[4-(2-methoxyphenoxy)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[4-(2-methoxyphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=CC=C2OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=CC=C2OC)C#N)C

InChI

InChI=1S/C20H22N2O5S/c1-4-26-20(24)18-13(2)14(12-21)19(28-18)22-17(23)10-7-11-27-16-9-6-5-8-15(16)25-3/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,22,23)