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

Systemtic Name: ethyl 4-cyano-5-[4-(2-ethoxyphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(2-ethoxyphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-(2-ethoxyphenoxy)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[4-(2-ethoxyphenoxy)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[4-(2-ethoxyphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C21H24N2O5S/c1-4-26-16-9-6-7-10-17(16)28-12-8-11-18(24)23-20-15(13-22)14(3)19(29-20)21(25)27-5-2/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,23,24)