3,3-bis[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methylsulfanyl]-2-diethoxyphosphoryl-prop-2-enenitrile

Systemtic Name: 3,3-bis[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methylsulfanyl]-2-diethoxyphosphoryl-prop-2-enenitrile Openeye Name: 3,3-bis[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methylsulfanyl]-2-diethoxyphosphoryl-prop-2-enenitrile CAS Name: 3,3-bis[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methylthio]-2-diethoxyphosphoryl-2-propenenitrile IUPAC Name: 3,3-bis[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methylsulfanyl]-2-diethoxyphosphorylprop-2-enenitrile Traditional Name: 3,3-bis[(5-chloro-2-keto-1,3-benzoxazol-3-yl)methylthio]-2-diethoxyphosphoryl-acrylonitrile Formula: C23H20Cl2N3O7PS2 MolecularWeight: 616.430561

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(SCN1C2=C(C=CC(=C2)Cl)OC1=O)SCN3C4=C(C=CC(=C4)Cl)OC3=O)C#N)OCC

Isomeric SMILES

CCOP(=O)(C(=C(SCN1C2=C(C=CC(=C2)Cl)OC1=O)SCN3C4=C(C=CC(=C4)Cl)OC3=O)C#N)OCC

InChI

InChI=1S/C23H20Cl2N3O7PS2/c1-3-32-36(31,33-4-2)20(11-26)21(37-12-27-16-9-14(24)5-7-18(16)34-22(27)29)38-13-28-17-10-15(25)6-8-19(17)35-23(28)30/h5-10H,3-4,12-13H2,1-2H3