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

Systemtic Name: [[6-(2-methylpropoxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid Openeye Name: [(6-isobutoxycarbonyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid CAS Name: [[[[6-[2-methylpropoxy(oxo)methyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]phosphonic acid IUPAC Name: [[6-(2-methylpropoxycarbonyl)-1,3-benzothiazol-2-yl]carbamoylamino]phosphonic acid Traditional Name: [(6-isobutoxycarbonyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid Formula: C13H16N3O6PS MolecularWeight: 373.321401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NP(=O)(O)O

Isomeric SMILES

CC(C)COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NP(=O)(O)O

InChI

InChI=1S/C13H16N3O6PS/c1-7(2)6-22-11(17)8-3-4-9-10(5-8)24-13(14-9)15-12(18)16-23(19,20)21/h3-5,7H,6H2,1-2H3,(H4,14,15,16,18,19,20,21)