ethyl 2-azanyl-4-[5-bis[[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]phosphorylfuran-2-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[5-bis[[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]phosphorylfuran-2-yl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-amino-4-[5-bis[[(1S)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]phosphoryl-2-furyl]thiazole-5-carboxylate CAS Name: 2-amino-4-[5-bis[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl-2-furanyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[5-bis[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphorylfuran-2-yl]-1,3-thiazole-5-carboxylate Traditional Name: 2-amino-4-[5-bis[[(1S)-2-ethoxy-2-keto-1-methyl-ethyl]amino]phosphoryl-2-furyl]thiazole-5-carboxylic acid ethyl ester Formula: C20H29N4O8PS MolecularWeight: 516.505021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(NC(C)C(=O)OCC)NC(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(N[C@@H](C)C(=O)OCC)N[C@@H](C)C(=O)OCC

InChI

InChI=1S/C20H29N4O8PS/c1-6-29-17(25)11(4)23-33(28,24-12(5)18(26)30-7-2)14-10-9-13(32-14)15-16(19(27)31-8-3)34-20(21)22-15/h9-12H,6-8H2,1-5H3,(H2,21,22)(H2,23,24,28)/t11-,12-/m0/s1