2-[2-[(1-ethenylimidazol-2-yl)-oxidanyl-phosphinothioyl]-4-methyl-1,3-thiazol-5-yl]ethyl ethanoate

Systemtic Name: 2-[2-[(1-ethenylimidazol-2-yl)-oxidanyl-phosphinothioyl]-4-methyl-1,3-thiazol-5-yl]ethyl ethanoate Openeye Name: 2-[2-[hydroxy-(1-vinylimidazol-2-yl)phosphinothioyl]-4-methyl-thiazol-5-yl]ethyl acetate CAS Name: acetic acid 2-[2-[(1-ethenyl-2-imidazolyl)-hydroxyphosphinothioyl]-4-methyl-5-thiazolyl]ethyl ester IUPAC Name: 2-[2-[(1-ethenylimidazol-2-yl)-hydroxyphosphinothioyl]-4-methyl-1,3-thiazol-5-yl]ethyl acetate Traditional Name: acetic acid 2-[2-[hydroxy-(1-vinylimidazol-2-yl)thiophosphoryl]-4-methyl-thiazol-5-yl]ethyl ester Formula: C13H16N3O3PS2 MolecularWeight: 357.388201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)P(=S)(C2=NC=CN2C=C)O)CCOC(=O)C

Isomeric SMILES

CC1=C(SC(=N1)P(=S)(C2=NC=CN2C=C)O)CCOC(=O)C

InChI

InChI=1S/C13H16N3O3PS2/c1-4-16-7-6-14-12(16)20(18,21)13-15-9(2)11(22-13)5-8-19-10(3)17/h4,6-7H,1,5,8H2,2-3H3,(H,18,21)