[2-azanyl-4-(diethoxyphosphorylmethoxy)-7-methoxy-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-azanyl-4-(diethoxyphosphorylmethoxy)-7-methoxy-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-amino-4-(diethoxyphosphorylmethoxy)-7-methoxy-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-amino-4-(diethoxyphosphorylmethoxy)-7-methoxy-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-amino-4-(diethoxyphosphorylmethoxy)-7-methoxy-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-amino-4-(diethoxyphosphorylmethoxy)-7-methoxy-1,3-benzothiazol-6-yl] ester Formula: C14H18N3O5PS2 MolecularWeight: 403.413581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1=CC(=C(C2=C1N=C(S2)N)OC)SC#N)OCC

Isomeric SMILES

CCOP(=O)(COC1=CC(=C(C2=C1N=C(S2)N)OC)SC#N)OCC

InChI

InChI=1S/C14H18N3O5PS2/c1-4-21-23(18,22-5-2)8-20-9-6-10(24-7-15)12(19-3)13-11(9)17-14(16)25-13/h6H,4-5,8H2,1-3H3,(H2,16,17)