diethyl 2-[2-[[4-[(4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxidanylidene-butan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]propan-2-yl]propanedioate

Systemtic Name: diethyl 2-[2-[[4-[(4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxidanylidene-butan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]propan-2-yl]propanedioate Openeye Name: diethyl 2-[1-[[4-[(3-ethoxy-2-ethoxycarbonyl-1,1-dimethyl-3-oxo-propyl)sulfanylmethyl]phenyl]methylsulfanyl]-1-methyl-ethyl]propanedioate CAS Name: 2-[2-[[4-[[(4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxobutan-2-yl)thio]methyl]phenyl]methylthio]propan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[[4-[(4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxobutan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]propan-2-yl]propanedioate Traditional Name: 2-[1-[[4-[[(2-carbethoxy-3-ethoxy-3-keto-1,1-dimethyl-propyl)thio]methyl]benzyl]thio]-1-methyl-ethyl]malonic acid diethyl ester Formula: C28H42O8S2 MolecularWeight: 570.75828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)C(C)(C)SCC1=CC=C(C=C1)CSC(C)(C)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)C(C)(C)SCC1=CC=C(C=C1)CSC(C)(C)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C28H42O8S2/c1-9-33-23(29)21(24(30)34-10-2)27(5,6)37-17-19-13-15-20(16-14-19)18-38-28(7,8)22(25(31)35-11-3)26(32)36-12-4/h13-16,21-22H,9-12,17-18H2,1-8H3