3-(3-azanylpropyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(3-azanylpropyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-aminopropyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(3-aminopropyl)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-aminopropyl)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(3-aminopropyl)-6-(1-hydroxy-1-methyl-ethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2N(C1=O)C(=C(S2)CCCN)C(=O)O)O

Isomeric SMILES

CC(C)(C1C2N(C1=O)C(=C(S2)CCCN)C(=O)O)O

InChI

InChI=1S/C12H18N2O4S/c1-12(2,18)7-9(15)14-8(11(16)17)6(4-3-5-13)19-10(7)14/h7,10,18H,3-5,13H2,1-2H3,(H,16,17)