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

Systemtic Name: [(6-propoxycarbonyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid Openeye Name: [(6-propoxycarbonyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid CAS Name: [[oxo-[[6-[oxo(propoxy)methyl]-1,3-benzothiazol-2-yl]amino]methyl]amino]phosphonic acid IUPAC Name: [(6-propoxycarbonyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid Traditional Name: [(6-propoxycarbonyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid Formula: C12H14N3O6PS MolecularWeight: 359.294821

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NP(=O)(O)O

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NP(=O)(O)O

InChI

InChI=1S/C12H14N3O6PS/c1-2-5-21-10(16)7-3-4-8-9(6-7)23-12(13-8)14-11(17)15-22(18,19)20/h3-4,6H,2,5H2,1H3,(H4,13,14,15,17,18,19,20)