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

Systemtic Name: 3-(2-azanylpropylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminopropylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminopropylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminopropylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminopropylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H16N2O4S2 MolecularWeight: 304.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O)N

Isomeric SMILES

CC(CSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O)N

InChI

InChI=1S/C11H16N2O4S2/c1-4(12)3-18-11-7(10(16)17)13-8(15)6(5(2)14)9(13)19-11/h4-6,9,14H,3,12H2,1-2H3,(H,16,17)