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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=CC=CC=C3C

InChI

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