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

Systemtic Name: methyl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16Cl2N2O4S MolecularWeight: 427.30164

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O4S/c1-10-12(9-21)17(27-16(10)18(24)25-2)22-15(23)4-3-7-26-14-6-5-11(19)8-13(14)20/h5-6,8H,3-4,7H2,1-2H3,(H,22,23)