ethyl 5-diethoxyphosphoryl-4-ethoxycarbothioylsulfanyl-2-(phenylcarbonyl)pentanoate

Systemtic Name: ethyl 5-diethoxyphosphoryl-4-ethoxycarbothioylsulfanyl-2-(phenylcarbonyl)pentanoate Openeye Name: ethyl 2-benzoyl-5-diethoxyphosphoryl-4-ethoxycarbothioylsulfanyl-pentanoate CAS Name: 2-benzoyl-5-diethoxyphosphoryl-4-[[ethoxy(sulfanylidene)methyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-5-diethoxyphosphoryl-4-ethoxycarbothioylsulfanylpentanoate Traditional Name: 2-benzoyl-5-diethoxyphosphoryl-4-(ethoxycarbothioylthio)valeric acid ethyl ester Formula: C21H31O7PS2 MolecularWeight: 490.570401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CP(=O)(OCC)OCC)SC(=S)OCC)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(CP(=O)(OCC)OCC)SC(=S)OCC)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H31O7PS2/c1-5-25-20(23)18(19(22)16-12-10-9-11-13-16)14-17(31-21(30)26-6-2)15-29(24,27-7-3)28-8-4/h9-13,17-18H,5-8,14-15H2,1-4H3