[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] (5R,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] (5R,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5R,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[cyclopropyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5R,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[cyclopropyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2CC2)C(=O)COC(=O)C34C[C@H]5C[C@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C20H29NO6S/c22-17(21(15-1-2-15)16-3-4-28(25,26)11-16)10-27-18(23)19-6-13-5-14(7-19)9-20(24,8-13)12-19/h13-16,24H,1-12H2/t13-,14-,16+,19?,20?/m1/s1