6-(1-hydroxyethyl)-3-(1-imidazol-1-ylpropan-2-ylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-3-(1-imidazol-1-ylpropan-2-ylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-(2-imidazol-1-yl-1-methyl-ethyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[1-(1-imidazolyl)propan-2-ylthio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-(1-imidazol-1-ylpropan-2-ylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-3-[(2-imidazol-1-yl-1-methyl-ethyl)thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H17N3O4S2 MolecularWeight: 355.43248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

Isomeric SMILES

CC(CN1C=CN=C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

InChI

InChI=1S/C14H17N3O4S2/c1-7(5-16-4-3-15-6-16)22-14-10(13(20)21)17-11(19)9(8(2)18)12(17)23-14/h3-4,6-9,12,18H,5H2,1-2H3,(H,20,21)