3-(5-azanylpentan-2-ylsulfanyl)-6-methoxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(5-azanylpentan-2-ylsulfanyl)-6-methoxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(4-amino-1-methyl-butyl)sulfanyl-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(5-aminopentan-2-ylthio)-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(5-aminopentan-2-ylsulfanyl)-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(4-amino-1-methyl-butyl)thio]-7-keto-6-methoxy-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)SC1=C(N2C(S1)C(C2=O)OC)C(=O)O

Isomeric SMILES

CC(CCCN)SC1=C(N2C(S1)C(C2=O)OC)C(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-6(4-3-5-13)19-12-7(11(16)17)14-9(15)8(18-2)10(14)20-12/h6,8,10H,3-5,13H2,1-2H3,(H,16,17)