methyl 2-[4-(4-chloranylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-chloranylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26ClNO5S MolecularWeight: 487.99564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C25H26ClNO5S/c1-4-31-19-11-7-17(8-12-19)22-16(2)33-24(23(22)25(29)30-3)27-21(28)6-5-15-32-20-13-9-18(26)10-14-20/h7-14H,4-6,15H2,1-3H3,(H,27,28)