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

Systemtic Name: ethyl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O4S/c1-3-26-19(25)17-11(2)13(10-22)18(28-17)23-16(24)5-4-8-27-15-7-6-12(20)9-14(15)21/h6-7,9H,3-5,8H2,1-2H3,(H,23,24)