3-[(2-azanyl-6-chloranyl-7-methyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(2-azanyl-6-chloranyl-7-methyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid Openeye Name: [1-[(2-amino-6-chloro-7-methyl-1,3-benzothiazol-4-yl)oxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(2-amino-6-chloro-7-methyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(2-amino-6-chloro-7-methyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid Traditional Name: [1-[(2-amino-6-chloro-7-methyl-1,3-benzothiazol-4-yl)oxy]-1-ethyl-propyl]phosphonic acid Formula: C13H18ClN2O4PS MolecularWeight: 364.784781

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=CC(=C(C2=C1N=C(S2)N)C)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=CC(=C(C2=C1N=C(S2)N)C)Cl)P(=O)(O)O

InChI

InChI=1S/C13H18ClN2O4PS/c1-4-13(5-2,21(17,18)19)20-9-6-8(14)7(3)11-10(9)16-12(15)22-11/h6H,4-5H2,1-3H3,(H2,15,16)(H2,17,18,19)