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

Systemtic Name: propan-2-yl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)OC(C)C

InChI

InChI=1S/C20H20Cl2N2O4S/c1-11(2)28-20(26)18-12(3)14(10-23)19(29-18)24-17(25)5-4-8-27-16-7-6-13(21)9-15(16)22/h6-7,9,11H,4-5,8H2,1-3H3,(H,24,25)