7-oxidanylidene-4-[oxidanyl(pyrrolidin-3-yl)methyl]-3-pyrrolidin-3-yl-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-4-[oxidanyl(pyrrolidin-3-yl)methyl]-3-pyrrolidin-3-yl-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-[hydroxy(pyrrolidin-3-yl)methyl]-7-oxo-3-pyrrolidin-3-yl-6-thioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-[hydroxy(3-pyrrolidinyl)methyl]-7-oxo-3-(3-pyrrolidinyl)-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-[hydroxy(pyrrolidin-3-yl)methyl]-7-oxo-3-pyrrolidin-3-yl-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-[hydroxy(pyrrolidin-3-yl)methyl]-7-keto-3-pyrrolidin-3-yl-6-thioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=C(N3C(C2C(C4CCNC4)O)C(=S)C3=O)C(=O)O

Isomeric SMILES

C1CNCC1C2=C(N3C(C2C(C4CCNC4)O)C(=S)C3=O)C(=O)O

InChI

InChI=1S/C16H21N3O4S/c20-13(8-2-4-18-6-8)10-9(7-1-3-17-5-7)12(16(22)23)19-11(10)14(24)15(19)21/h7-8,10-11,13,17-18,20H,1-6H2,(H,22,23)