(phenylmethyl) (3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxidanylidene-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxidanylidene-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Openeye Name: benzyl (3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate CAS Name: (3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3aS,6aR)-6-ethyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Traditional Name: (3aS,6aR)-6-ethyl-5-keto-4-mesyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C(CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)S(=O)(=O)C

Isomeric SMILES

CCC1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)S(=O)(=O)C

InChI

InChI=1S/C17H22N2O5S/c1-3-13-15-14(19(16(13)20)25(2,22)23)9-10-18(15)17(21)24-11-12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3/t13?,14-,15+/m0/s1