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

Systemtic Name: methyl 5-[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C17H14Cl2N2O4S/c1-8-11(7-20)16(26-14(8)17(23)24-3)21-15(22)9(2)25-13-5-4-10(18)6-12(13)19/h4-6,9H,1-3H3,(H,21,22)