[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C26H32N2O4S/c1-16-7-22(17(2)28(16)13-21-5-4-6-33-21)23(30)14-32-24(31)25-9-19-8-20(10-25)12-26(11-19,15-25)27-18(3)29/h4-7,19-20H,8-15H2,1-3H3,(H,27,29)/t19-,20+,25?,26?