N-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(1-oxidanyl-2-phosphonato-ethyl)phenoxy]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(1-oxidanyl-2-phosphonato-ethyl)phenoxy]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(1-hydroxy-2-phosphonato-ethyl)-2-methoxy-phenoxy]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(1-hydroxy-2-phosphonatoethyl)-2-methoxyphenoxy]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(1-hydroxy-2-phosphonatoethyl)-2-methoxyphenoxy]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(1-hydroxy-2-phosphonato-ethyl)-2-methoxy-phenoxy]acetamide Formula: C18H17N2O7PS-2 MolecularWeight: 436.375541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CP(=O)([O-])[O-])O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=CC(=C1)C(CP(=O)([O-])[O-])O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N2O7PS/c1-26-15-8-11(13(21)10-28(23,24)25)6-7-14(15)27-9-17(22)20-18-19-12-4-2-3-5-16(12)29-18/h2-8,13,21H,9-10H2,1H3,(H,19,20,22)(H2,23,24,25)/p-2