7-oxidanylidene-6-(1-oxidanylpropyl)-3-(2-pyrrol-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-(1-oxidanylpropyl)-3-(2-pyrrol-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxypropyl)-7-oxo-3-(2-pyrrol-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxypropyl)-7-oxo-3-[2-(1-pyrrolyl)ethylthio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxypropyl)-7-oxo-3-(2-pyrrol-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxypropyl)-7-keto-3-(2-pyrrol-1-ylethylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2N(C1=O)C(=C(S2)SCCN3C=CC=C3)C(=O)O)O

Isomeric SMILES

CCC(C1C2N(C1=O)C(=C(S2)SCCN3C=CC=C3)C(=O)O)O

InChI

InChI=1S/C15H18N2O4S2/c1-2-9(18)10-12(19)17-11(14(20)21)15(23-13(10)17)22-8-7-16-5-3-4-6-16/h3-6,9-10,13,18H,2,7-8H2,1H3,(H,20,21)