2-[3,3-bis(diethoxyphosphoryl)-1-(furan-2-yl)prop-1-en-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[3,3-bis(diethoxyphosphoryl)-1-(furan-2-yl)prop-1-en-2-yl]-1,3-benzothiazole Openeye Name: 2-[1-[bis(diethoxyphosphoryl)methyl]-2-(2-furyl)vinyl]-1,3-benzothiazole CAS Name: 2-[3,3-bis(diethoxyphosphoryl)-1-(2-furanyl)prop-1-en-2-yl]-1,3-benzothiazole IUPAC Name: 2-[3,3-bis(diethoxyphosphoryl)-1-(furan-2-yl)prop-1-en-2-yl]-1,3-benzothiazole Traditional Name: 2-[1-[bis(diethoxyphosphoryl)methyl]-2-(2-furyl)vinyl]-1,3-benzothiazole Formula: C22H29NO7P2S MolecularWeight: 513.480682

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=CC1=CC=CO1)C2=NC3=CC=CC=C3S2)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(C(=CC1=CC=CO1)C2=NC3=CC=CC=C3S2)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C22H29NO7P2S/c1-5-27-31(24,28-6-2)22(32(25,29-7-3)30-8-4)18(16-17-12-11-15-26-17)21-23-19-13-9-10-14-20(19)33-21/h9-16,22H,5-8H2,1-4H3