[2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C21H26N2O5S/c22-17(25)16-13-2-1-3-14(13)29-18(16)23-15(24)9-28-19(26)20-5-11-4-12(6-20)8-21(27,7-11)10-20/h11-12,27H,1-10H2,(H2,22,25)(H,23,24)