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

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-butan-2-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-carbamoylpropylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(1-amino-1-oxobutan-2-yl)thio]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-1-oxobutan-2-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(1-carbamoylpropylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)SC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CCC(C(=O)N)SC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-3-5(8(13)16)20-12-7(11(18)19)14-9(17)6(4(2)15)10(14)21-12/h4-6,10,15H,3H2,1-2H3,(H2,13,16)(H,18,19)