[4-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-(4-chlorophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride

Systemtic Name: [4-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-(4-chlorophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride Openeye Name: [4-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride CAS Name: [4-[[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]-2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium chloride IUPAC Name: [4-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium chloride Traditional Name: [2-(4-chlorophenyl)-4-[[2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride Formula: C41H36Cl2N3O6PS2 MolecularWeight: 832.750801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=C(C(=O)NC(=N2)C3=CC=C(C=C3)Cl)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=C(C(=O)NC(=N2)C3=CC=C(C=C3)Cl)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C41H35ClN3O6PS2.ClH/c1-4-50-40(48)33-26(3)35(41(49)51-5-2)54-38(33)43-32(46)25-53-39-34(37(47)44-36(45-39)27-21-23-28(42)24-22-27)52(29-15-9-6-10-16-29,30-17-11-7-12-18-30)31-19-13-8-14-20-31;/h6-24H,4-5,25H2,1-3H3,(H-,43,44,45,46,47,48,49);1H