ethyl 3-[[(2-azanyl-6,7-dimethyl-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: ethyl 3-[[(2-azanyl-6,7-dimethyl-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: ethyl 3-[[(2-amino-6,7-dimethyl-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 3-[[(2-amino-6,7-dimethyl-1,3-benzothiazol-4-yl)oxy-phenoxyphosphoryl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2-amino-6,7-dimethyl-1,3-benzothiazol-4-yl)oxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 3-[[(2-amino-6,7-dimethyl-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propionic acid ethyl ester Formula: C20H24N3O5PS MolecularWeight: 449.460421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNP(=O)(OC1=CC=CC=C1)OC2=C3C(=C(C(=C2)C)C)SC(=N3)N

Isomeric SMILES

CCOC(=O)CCNP(=O)(OC1=CC=CC=C1)OC2=C3C(=C(C(=C2)C)C)SC(=N3)N

InChI

InChI=1S/C20H24N3O5PS/c1-4-26-17(24)10-11-22-29(25,27-15-8-6-5-7-9-15)28-16-12-13(2)14(3)19-18(16)23-20(21)30-19/h5-9,12H,4,10-11H2,1-3H3,(H2,21,23)(H,22,25)