6-[(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-1-oxo-2-(1,3,4-thiadiazol-2-ylthio)propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-(1,3,4-thiadiazol-2-ylthio)propanoyl]-4H-1,4-benzoxazin-3-one Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=CS3

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=CS3

InChI

InChI=1S/C13H11N3O3S2/c1-7(21-13-16-14-6-20-13)12(18)8-2-3-10-9(4-8)15-11(17)5-19-10/h2-4,6-7H,5H2,1H3,(H,15,17)/t7-/m0/s1