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

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]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-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)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-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C27H34N2O4S/c1-17-9-23(18(2)29(17)7-6-22-5-4-8-34-22)24(31)15-33-25(32)26-11-20-10-21(12-26)14-27(13-20,16-26)28-19(3)30/h4-5,8-9,20-21H,6-7,10-16H2,1-3H3,(H,28,30)/t20-,21+,26?,27?