(4S,5R,6S)-4-(acetyloxymethyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4S,5R,6S)-4-(acetyloxymethyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4S,5R,6S)-4-(acetoxymethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4S,5R,6S)-4-(acetyloxymethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4S,5R,6S)-4-(acetyloxymethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4S,5R,6S)-4-(acetoxymethyl)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H17N3O6S2 MolecularWeight: 399.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)COC(=O)C)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)COC(=O)C)O

InChI

InChI=1S/C15H17N3O6S2/c1-6(19)10-11-8(3-24-7(2)20)9(4-25-15-17-16-5-26-15)12(14(22)23)18(11)13(10)21/h5-6,8,10-11,19H,3-4H2,1-2H3,(H,22,23)/t6-,8+,10-,11-/m1/s1