ethyl 4-(3,4-dimethylphenyl)-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCCOC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCCOC3=CC=CC=C3C

InChI

InChI=1S/C26H29NO4S/c1-5-30-26(29)24-21(20-13-12-17(2)19(4)15-20)16-32-25(24)27-23(28)11-8-14-31-22-10-7-6-9-18(22)3/h6-7,9-10,12-13,15-16H,5,8,11,14H2,1-4H3,(H,27,28)