[[(5-phenethyl-1,3-thiazol-2-yl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(5-phenethyl-1,3-thiazol-2-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(5-phenethylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(5-phenethyl-2-thiazolyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(5-phenethyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(5-phenethylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid Formula: C12H16N2O6P2S MolecularWeight: 378.277762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(S2)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(S2)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H16N2O6P2S/c15-21(16,17)12(22(18,19)20)14-11-13-8-10(23-11)7-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14)(H2,15,16,17)(H2,18,19,20)