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

Systemtic Name: [4-[2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[2-acetamido-3-[(4-ethylthiazol-2-yl)methylamino]-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[2-acetamido-3-[(4-ethyl-2-thiazolyl)methylamino]-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[2-acetamido-3-[(4-ethylthiazol-2-yl)methylamino]-3-keto-propyl]phenyl] dihydrogen phosphate Formula: C17H22N3O6PS MolecularWeight: 427.411841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C17H22N3O6PS/c1-3-13-10-28-16(20-13)9-18-17(22)15(19-11(2)21)8-12-4-6-14(7-5-12)26-27(23,24)25/h4-7,10,15H,3,8-9H2,1-2H3,(H,18,22)(H,19,21)(H2,23,24,25)