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

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-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-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c22-21-7-11-4-12(8-21)6-20(5-11,10-21)19(27)28-9-15(25)24-18-16(17(23)26)13-2-1-3-14(13)29-18/h11-12H,1-10H2,(H2,23,26)(H,24,25)