(4-nitrophenyl)methyl 3-(2-azanylethylsulfanyl)-7-(1-hydroxyethyl)-6-oxidanylidene-bicyclo[3.2.0]heptane-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-azanylethylsulfanyl)-7-(1-hydroxyethyl)-6-oxidanylidene-bicyclo[3.2.0]heptane-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-aminoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxo-bicyclo[3.2.0]heptane-4-carboxylate CAS Name: 3-(2-aminoethylthio)-7-(1-hydroxyethyl)-6-oxo-4-bicyclo[3.2.0]heptanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-aminoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxobicyclo[3.2.0]heptane-4-carboxylate Traditional Name: 3-(2-aminoethylthio)-7-(1-hydroxyethyl)-6-keto-bicyclo[3.2.0]heptane-4-carboxylic acid (4-nitrobenzyl) ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(C(C2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCCN)O

Isomeric SMILES

CC(C1C2CC(C(C2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCCN)O

InChI

InChI=1S/C19H24N2O6S/c1-10(22)15-13-8-14(28-7-6-20)17(16(13)18(15)23)19(24)27-9-11-2-4-12(5-3-11)21(25)26/h2-5,10,13-17,22H,6-9,20H2,1H3