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

Systemtic Name: propan-2-yl 5-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-12(2)28-21(26)19-14(4)16(11-23)20(29-19)24-18(25)6-5-9-27-17-8-7-15(22)10-13(17)3/h7-8,10,12H,5-6,9H2,1-4H3,(H,24,25)