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

Systemtic Name: [4-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-4-yl]phenyl] dihydrogen phosphate Openeye Name: [4-[3-(7-methoxy-1,3-benzodioxol-5-yl)isothiazol-4-yl]phenyl] dihydrogen phosphate CAS Name: [4-[3-(7-methoxy-1,3-benzodioxol-5-yl)-4-isothiazolyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-4-yl]phenyl] dihydrogen phosphate Traditional Name: [4-[3-(7-methoxy-1,3-benzodioxol-5-yl)isothiazol-4-yl]phenyl] dihydrogen phosphate Formula: C17H14NO7PS MolecularWeight: 407.334321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3=NSC=C3C4=CC=C(C=C4)OP(=O)(O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3=NSC=C3C4=CC=C(C=C4)OP(=O)(O)O

InChI

InChI=1S/C17H14NO7PS/c1-22-14-6-11(7-15-17(14)24-9-23-15)16-13(8-27-18-16)10-2-4-12(5-3-10)25-26(19,20)21/h2-8H,9H2,1H3,(H2,19,20,21)