methyl 4-(4-ethylphenyl)-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-amylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C29H35NO4S MolecularWeight: 493.6575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO4S/c1-6-20-10-12-21(13-11-20)24-19-35-27(26(24)28(32)33-5)30-25(31)9-8-18-34-23-16-14-22(15-17-23)29(3,4)7-2/h10-17,19H,6-9,18H2,1-5H3,(H,30,31)