2-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(2-phosphonatoethanoyl)phenoxy]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(2-phosphonatoethanoyl)phenoxy]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(2-phosphonatoacetyl)phenoxy]acetamide CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(1-oxo-2-phosphonatoethyl)phenoxy]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(2-phosphonatoacetyl)phenoxy]acetamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-methoxy-4-(2-phosphonatoacetyl)phenoxy]acetamide Formula: C18H15N2O7PS-2 MolecularWeight: 434.359661

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)CP(=O)([O-])[O-])OC(C2=NC3=CC=CC=C3S2)C(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)CP(=O)([O-])[O-])OC(C2=NC3=CC=CC=C3S2)C(=O)N

InChI

InChI=1S/C18H17N2O7PS/c1-26-14-8-10(12(21)9-28(23,24)25)6-7-13(14)27-16(17(19)22)18-20-11-4-2-3-5-15(11)29-18/h2-8,16H,9H2,1H3,(H2,19,22)(H2,23,24,25)/p-2