ethyl 2-[2-(4-octanoylphenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-octanoylphenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-octanoylphenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(1-oxooctyl)phenoxy]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-octanoylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-caprylylphenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C29H33NO5S/c1-3-5-6-7-11-14-25(31)22-15-17-23(18-16-22)35-19-26(32)30-28-27(29(33)34-4-2)24(20-36-28)21-12-9-8-10-13-21/h8-10,12-13,15-18,20H,3-7,11,14,19H2,1-2H3,(H,30,32)