ethyl 2-[[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H22N3O8PS MolecularWeight: 471.421341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CNC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CNC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C18H22N3O8PS/c1-3-28-18(24)15-10-31-16(21-15)9-19-17(23)14(20-11(2)22)8-12-4-6-13(7-5-12)29-30(25,26)27/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,23)(H,20,22)(H2,25,26,27)