methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3,3-bis(4-methoxyphenyl)pentanoate

Systemtic Name: methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3,3-bis(4-methoxyphenyl)pentanoate Openeye Name: methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3,3-bis(4-methoxyphenyl)pentanoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3,3-bis(4-methoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3,3-bis(4-methoxyphenyl)pentanoate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3,3-bis(4-methoxyphenyl)valeric acid methyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C(C(=O)OC)SC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C(C(=O)OC)SC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C26H30N2O6S/c1-7-26(17-8-12-19(30-2)13-9-17,18-10-14-20(31-3)15-11-18)23(24(29)34-6)35-25-27-21(32-4)16-22(28-25)33-5/h8-16,23H,7H2,1-6H3