(5-methoxy-2-phosphonooxy-phenyl)methyl N-[2-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl]carbamate

Systemtic Name: (5-methoxy-2-phosphonooxy-phenyl)methyl N-[2-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl]carbamate Openeye Name: (5-methoxy-2-phosphonooxy-phenyl)methyl N-[2-[(E)-(carbamothioylhydrazono)methyl]-3-pyridyl]carbamate CAS Name: N-[2-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]carbamic acid (5-methoxy-2-phosphonooxyphenyl)methyl ester IUPAC Name: (5-methoxy-2-phosphonooxyphenyl)methyl N-[2-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl]carbamate Traditional Name: N-[2-[(E)-(thiocarbamoylhydrazono)methyl]-3-pyridyl]carbamic acid (5-methoxy-2-phosphonooxy-benzyl) ester Formula: C16H18N5O7PS MolecularWeight: 455.382181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OP(=O)(O)O)COC(=O)NC2=C(N=CC=C2)C=NNC(=S)N

Isomeric SMILES

COC1=CC(=C(C=C1)OP(=O)(O)O)COC(=O)NC2=C(N=CC=C2)/C=N/NC(=S)N

InChI

InChI=1S/C16H18N5O7PS/c1-26-11-4-5-14(28-29(23,24)25)10(7-11)9-27-16(22)20-12-3-2-6-18-13(12)8-19-21-15(17)30/h2-8H,9H2,1H3,(H,20,22)(H3,17,21,30)(H2,23,24,25)/b19-8+