[5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-3,3-diphenyl-2-prop-2-enoxyimino-propanoate

Systemtic Name: [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-3,3-diphenyl-2-prop-2-enoxyimino-propanoate Openeye Name: [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-2-allyloxyimino-3,3-diphenyl-propanoate CAS Name: (2E)-3,3-diphenyl-2-prop-2-enoxyiminopropanoic acid [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] ester IUPAC Name: [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-3,3-diphenyl-2-prop-2-enoxyiminopropanoate Traditional Name: (2E)-2-allyloximino-3,3-diphenyl-propionic acid [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] ester Formula: C22H23N4O6PS MolecularWeight: 502.479981

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(NC1=NC(=NS1)OC(=O)C(=NOCC=C)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COP(=O)(NC1=NC(=NS1)OC(=O)/C(=N/OCC=C)/C(C2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H23N4O6PS/c1-4-15-31-24-19(18(16-11-7-5-8-12-16)17-13-9-6-10-14-17)20(27)32-21-23-22(34-26-21)25-33(28,29-2)30-3/h4-14,18H,1,15H2,2-3H3,(H,23,25,26,28)/b24-19+