[4-[2-acetamido-3-oxidanylidene-3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[2-acetamido-3-oxidanylidene-3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[2-acetamido-3-oxo-3-[(4-phenylthiazol-2-yl)methylamino]propyl]phenyl] dihydrogen phosphate CAS Name: [4-[2-acetamido-3-oxo-3-[(4-phenyl-2-thiazolyl)methylamino]propyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[2-acetamido-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propyl]phenyl] dihydrogen phosphate Traditional Name: [4-[2-acetamido-3-keto-3-[(4-phenylthiazol-2-yl)methylamino]propyl]phenyl] dihydrogen phosphate Formula: C21H22N3O6PS MolecularWeight: 475.454641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NCC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NCC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N3O6PS/c1-14(25)23-18(11-15-7-9-17(10-8-15)30-31(27,28)29)21(26)22-12-20-24-19(13-32-20)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,22,26)(H,23,25)(H2,27,28,29)