[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-4-yl]phenyl]sulfanylphosphonic acid

Systemtic Name: [2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-4-yl]phenyl]sulfanylphosphonic acid Openeye Name: [2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)isothiazol-4-yl]phenyl]sulfanylphosphonic acid CAS Name: [[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-4-isothiazolyl]phenyl]thio]phosphonic acid IUPAC Name: [2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-4-yl]phenyl]sulfanylphosphonic acid Traditional Name: [[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)isothiazol-4-yl]phenyl]thio]phosphonic acid Formula: C18H16NO7PS2 MolecularWeight: 453.425901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSN=C2C3=CC4=C(C(=C3)OC)OCO4)SP(=O)(O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSN=C2C3=CC4=C(C(=C3)OC)OCO4)SP(=O)(O)O

InChI

InChI=1S/C18H16NO7PS2/c1-23-13-4-3-10(7-16(13)29-27(20,21)22)12-8-28-19-17(12)11-5-14(24-2)18-15(6-11)25-9-26-18/h3-8H,9H2,1-2H3,(H2,20,21,22)