(4S,5R,6S)-4-(cyanomethyl)-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-(cyanomethyl)-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-(cyanomethyl)-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-(cyanomethyl)-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-(cyanomethyl)-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-(cyanomethyl)-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: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)CC#N)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)CC#N)O

InChI

InChI=1S/C14H14N4O4S2/c1-6(19)9-10-7(2-3-15)8(4-23-14-17-16-5-24-14)11(13(21)22)18(10)12(9)20/h5-7,9-10,19H,2,4H2,1H3,(H,21,22)/t6-,7+,9-,10-/m1/s1