[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]phosphonic acid

Systemtic Name: [2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]phosphonic acid Openeye Name: [2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenyl-ethyl]phosphonic acid CAS Name: [2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]phosphonic acid IUPAC Name: [2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]phosphonic acid Traditional Name: [2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-phenyl-ethyl]phosphonic acid Formula: C17H17N2O6PS MolecularWeight: 408.365441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(C3=CC=CC=C3)P(=O)(O)O)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(C3=CC=CC=C3)P(=O)(O)O)OC

InChI

InChI=1S/C17H17N2O6PS/c1-24-11-8-12(25-2)14-13(9-11)27-17(18-14)19-16(20)15(26(21,22)23)10-6-4-3-5-7-10/h3-9,15H,1-2H3,(H,18,19,20)(H2,21,22,23)