5-[[2-azanyl-2-(4-methyl-1,3-thiazol-2-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one

Systemtic Name: 5-[[2-azanyl-2-(4-methyl-1,3-thiazol-2-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one Openeye Name: 5-[[2-amino-2-(4-methylthiazol-2-yl)ethyl]sulfanylmethyl]isoxazol-3-one CAS Name: 5-[[[2-amino-2-(4-methyl-2-thiazolyl)ethyl]thio]methyl]-3-isoxazolone IUPAC Name: 5-[[2-amino-2-(4-methyl-1,3-thiazol-2-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one Traditional Name: 5-[[[2-amino-2-(4-methylthiazol-2-yl)ethyl]thio]methyl]-4-isoxazolin-3-one Formula: C10H13N3O2S2 MolecularWeight: 271.35912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(CSCC2=CC(=O)NO2)N

Isomeric SMILES

CC1=CSC(=N1)C(CSCC2=CC(=O)NO2)N

InChI

InChI=1S/C10H13N3O2S2/c1-6-3-17-10(12-6)8(11)5-16-4-7-2-9(14)13-15-7/h2-3,8H,4-5,11H2,1H3,(H,13,14)