ethyl 2-(2,2-diethoxyethyl)-4-(4-methoxyphenyl)-2-(phenylmethyl)-3-sulfanyl-butanoate

Systemtic Name: ethyl 2-(2,2-diethoxyethyl)-4-(4-methoxyphenyl)-2-(phenylmethyl)-3-sulfanyl-butanoate Openeye Name: ethyl 2-benzyl-2-(2,2-diethoxyethyl)-4-(4-methoxyphenyl)-3-sulfanyl-butanoate CAS Name: 2-(2,2-diethoxyethyl)-3-mercapto-4-(4-methoxyphenyl)-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-2-(2,2-diethoxyethyl)-4-(4-methoxyphenyl)-3-sulfanylbutanoate Traditional Name: 2-benzyl-2-(2,2-diethoxyethyl)-3-mercapto-4-(4-methoxyphenyl)butyric acid ethyl ester Formula: C26H36O5S MolecularWeight: 460.62604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(CC1=CC=CC=C1)(C(CC2=CC=C(C=C2)OC)S)C(=O)OCC)OCC

Isomeric SMILES

CCOC(CC(CC1=CC=CC=C1)(C(CC2=CC=C(C=C2)OC)S)C(=O)OCC)OCC

InChI

InChI=1S/C26H36O5S/c1-5-29-24(30-6-2)19-26(25(27)31-7-3,18-21-11-9-8-10-12-21)23(32)17-20-13-15-22(28-4)16-14-20/h8-16,23-24,32H,5-7,17-19H2,1-4H3