methyl N-[5-(phenylsulfinyl)-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[5-(phenylsulfinyl)-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate Openeye Name: methyl N-[5-(benzenesulfinyl)-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate CAS Name: N-[5-(benzenesulfinyl)-1-(phosphonooxymethyl)-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(benzenesulfinyl)-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate Traditional Name: N-[5-(benzenesulfinyl)-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamic acid methyl ester Formula: C16H16N3O7PS MolecularWeight: 425.352901

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)(O)O)C=CC(=C2)S(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)(O)O)C=CC(=C2)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N3O7PS/c1-25-16(20)18-15-17-13-9-12(28(24)11-5-3-2-4-6-11)7-8-14(13)19(15)10-26-27(21,22)23/h2-9H,10H2,1H3,(H,17,18,20)(H2,21,22,23)