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

Systemtic Name: ethyl 3-[[(2-azanyl-7-methoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: ethyl 3-[[(2-amino-7-methoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 3-[[(2-amino-7-methoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxy-phenoxyphosphoryl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2-amino-7-methoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 3-[[(2-amino-7-methoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propionic acid ethyl ester Formula: C20H21N4O6PS2 MolecularWeight: 508.507701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNP(=O)(OC1=CC=CC=C1)OC2=CC(=C(C3=C2N=C(S3)N)OC)SC#N

Isomeric SMILES

CCOC(=O)CCNP(=O)(OC1=CC=CC=C1)OC2=CC(=C(C3=C2N=C(S3)N)OC)SC#N

InChI

InChI=1S/C20H21N4O6PS2/c1-3-28-16(25)9-10-23-31(26,29-13-7-5-4-6-8-13)30-14-11-15(32-12-21)18(27-2)19-17(14)24-20(22)33-19/h4-8,11H,3,9-10H2,1-2H3,(H2,22,24)(H,23,26)