[2-(4-dimethylaminophenyl)carbonyl-1,3-benzothiazol-5-yl]phosphonic acid

Systemtic Name: [2-(4-dimethylaminophenyl)carbonyl-1,3-benzothiazol-5-yl]phosphonic acid Openeye Name: [2-[4-(dimethylamino)benzoyl]-1,3-benzothiazol-5-yl]phosphonic acid CAS Name: [2-[(4-dimethylaminophenyl)-oxomethyl]-1,3-benzothiazol-5-yl]phosphonic acid IUPAC Name: [2-[4-(dimethylamino)benzoyl]-1,3-benzothiazol-5-yl]phosphonic acid Traditional Name: [2-[4-(dimethylamino)benzoyl]-1,3-benzothiazol-5-yl]phosphonic acid Formula: C16H15N2O4PS MolecularWeight: 362.340061

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)C2=NC3=C(S2)C=CC(=C3)P(=O)(O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)C2=NC3=C(S2)C=CC(=C3)P(=O)(O)O

InChI

InChI=1S/C16H15N2O4PS/c1-18(2)11-5-3-10(4-6-11)15(19)16-17-13-9-12(23(20,21)22)7-8-14(13)24-16/h3-9H,1-2H3,(H2,20,21,22)