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

Systemtic Name: ethyl 4-cyano-5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=CC(=C2C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC=CC(=C2C)C)C#N)C

InChI

InChI=1S/C21H24N2O4S/c1-5-26-21(25)19-15(4)16(12-22)20(28-19)23-18(24)10-7-11-27-17-9-6-8-13(2)14(17)3/h6,8-9H,5,7,10-11H2,1-4H3,(H,23,24)