[[6-(furan-2-ylmethoxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid

Systemtic Name: [[6-(furan-2-ylmethoxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid Openeye Name: [[6-(2-furylmethoxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid CAS Name: [[[[6-[2-furanylmethoxy(oxo)methyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]phosphonic acid IUPAC Name: [[6-(furan-2-ylmethoxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid Traditional Name: [[6-(2-furfuryloxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid Formula: C14H12N3O7PS MolecularWeight: 397.299741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)COC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NP(=O)(O)O

Isomeric SMILES

C1=COC(=C1)COC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NP(=O)(O)O

InChI

InChI=1S/C14H12N3O7PS/c18-12(24-7-9-2-1-5-23-9)8-3-4-10-11(6-8)26-14(15-10)16-13(19)17-25(20,21)22/h1-6H,7H2,(H4,15,16,17,19,20,21,22)