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

Systemtic Name: ethyl 3-[[(2-azanyl-7-butyl-6-methoxy-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: ethyl 3-[[(2-amino-7-butyl-6-methoxy-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 3-[[(2-amino-7-butyl-6-methoxy-1,3-benzothiazol-4-yl)oxy-phenoxyphosphoryl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2-amino-7-butyl-6-methoxy-1,3-benzothiazol-4-yl)oxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 3-[[(2-amino-7-butyl-6-methoxy-1,3-benzothiazol-4-yl)oxy-phenoxy-phosphoryl]amino]propionic acid ethyl ester Formula: C23H30N3O6PS MolecularWeight: 507.539561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C=C1OC)OP(=O)(NCCC(=O)OCC)OC3=CC=CC=C3)N=C(S2)N

Isomeric SMILES

CCCCC1=C2C(=C(C=C1OC)OP(=O)(NCCC(=O)OCC)OC3=CC=CC=C3)N=C(S2)N

InChI

InChI=1S/C23H30N3O6PS/c1-4-6-12-17-18(29-3)15-19(21-22(17)34-23(24)26-21)32-33(28,25-14-13-20(27)30-5-2)31-16-10-8-7-9-11-16/h7-11,15H,4-6,12-14H2,1-3H3,(H2,24,26)(H,25,28)