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

Systemtic Name: methyl 5-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N

InChI

InChI=1S/C19H19ClN2O4S/c1-11-9-13(20)6-7-15(11)26-8-4-5-16(23)22-18-14(10-21)12(2)17(27-18)19(24)25-3/h6-7,9H,4-5,8H2,1-3H3,(H,22,23)