methyl 4-(4-ethylphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C25H27NO4S/c1-4-18-10-12-19(13-11-18)21-16-31-24(23(21)25(28)29-3)26-22(27)9-6-14-30-20-8-5-7-17(2)15-20/h5,7-8,10-13,15-16H,4,6,9,14H2,1-3H3,(H,26,27)