(4-nitrophenyl)methyl 3-sulfanylpyrrolidine-1-carboxylate; 7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid

Systemtic Name: (4-nitrophenyl)methyl 3-sulfanylpyrrolidine-1-carboxylate; 7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid Openeye Name: (4-nitrophenyl)methyl 3-sulfanylpyrrolidine-1-carboxylate; 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid IUPAC Name: (4-nitrophenyl)methyl 3-sulfanylpyrrolidine-1-carboxylate; 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid Traditional Name: 7-keto-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid; 3-mercaptopyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].C1C=CN2C1C(C2=O)C(=O)O

Isomeric SMILES

C1CN(CC1S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].C1C=CN2C1C(C2=O)C(=O)O

InChI

InChI=1S/C12H14N2O4S.C7H7NO3/c15-12(13-6-5-11(19)7-13)18-8-9-1-3-10(4-2-9)14(16)17;9-6-5(7(10)11)4-2-1-3-8(4)6/h1-4,11,19H,5-8H2;1,3-5H,2H2,(H,10,11)