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

Systemtic Name: 7-oxidanylidene-6-(1-oxidanylpropyl)-3-(1-phenethylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxypropyl)-7-oxo-3-(1-phenethylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxypropyl)-7-oxo-3-[(1-phenethyl-3-pyrrolidinyl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxypropyl)-7-oxo-3-(1-phenethylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxypropyl)-7-keto-3-[(1-phenethylpyrrolidin-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)CCC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

CCC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)CCC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C21H26N2O4S2/c1-2-15(24)16-18(25)23-17(20(26)27)21(29-19(16)23)28-14-9-11-22(12-14)10-8-13-6-4-3-5-7-13/h3-7,14-16,19,24H,2,8-12H2,1H3,(H,26,27)