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

Systemtic Name: ethyl 5-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-chloro-3-methylphenoxy)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC(=C(C=C2)Cl)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC(=C(C=C2)Cl)C)C#N)C

InChI

InChI=1S/C20H21ClN2O4S/c1-4-26-20(25)18-13(3)15(11-22)19(28-18)23-17(24)6-5-9-27-14-7-8-16(21)12(2)10-14/h7-8,10H,4-6,9H2,1-3H3,(H,23,24)