N-[(Z)-1-diethoxyphosphoryl-3-oxidanylidene-1-phenyl-3-(1,3-thiazol-3-ium-2-ylamino)prop-1-en-2-yl]benzamide benzoate

Systemtic Name: N-[(Z)-1-diethoxyphosphoryl-3-oxidanylidene-1-phenyl-3-(1,3-thiazol-3-ium-2-ylamino)prop-1-en-2-yl]benzamide benzoate Openeye Name: N-[(Z)-2-diethoxyphosphoryl-2-phenyl-1-(thiazol-3-ium-2-ylcarbamoyl)vinyl]benzamide benzoate CAS Name: N-[(Z)-1-diethoxyphosphoryl-3-oxo-1-phenyl-3-(2-thiazol-3-iumylamino)prop-1-en-2-yl]benzamide benzoate IUPAC Name: N-[(Z)-1-diethoxyphosphoryl-3-oxo-1-phenyl-3-(1,3-thiazol-3-ium-2-ylamino)prop-1-en-2-yl]benzamide benzoate Traditional Name: N-[(Z)-2-diethoxyphosphoryl-2-phenyl-1-(thiazol-3-ium-2-ylcarbamoyl)vinyl]benzamide benzoate Formula: C30H30N3O7PS MolecularWeight: 607.613861

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(=O)NC1=[NH+]C=CS1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)OCC.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCOP(=O)(/C(=C(/C(=O)NC1=[NH+]C=CS1)\NC(=O)C2=CC=CC=C2)/C3=CC=CC=C3)OCC.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C23H24N3O5PS.C7H6O2/c1-3-30-32(29,31-4-2)20(17-11-7-5-8-12-17)19(22(28)26-23-24-15-16-33-23)25-21(27)18-13-9-6-10-14-18;8-7(9)6-4-2-1-3-5-6/h5-16H,3-4H2,1-2H3,(H,25,27)(H,24,26,28);1-5H,(H,8,9)/b20-19-;