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

Systemtic Name: methyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C24H24ClNO4S MolecularWeight: 457.96966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C24H24ClNO4S/c1-15-6-8-17(9-7-15)19-14-31-23(22(19)24(28)29-3)26-21(27)5-4-12-30-20-11-10-18(25)13-16(20)2/h6-11,13-14H,4-5,12H2,1-3H3,(H,26,27)