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

Systemtic Name: methyl 2-[4-(4-chloranylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenoxy)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO4S/c1-15-20(16-7-4-3-5-8-16)21(23(27)28-2)22(30-15)25-19(26)9-6-14-29-18-12-10-17(24)11-13-18/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,25,26)