[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C)SC

InChI

InChI=1S/C24H30N2O5S/c1-14(27)25-19-7-18(4-5-21(19)32-3)20(29)12-31-22(30)23-8-16-6-17(9-23)11-24(10-16,13-23)26-15(2)28/h4-5,7,16-17H,6,8-13H2,1-3H3,(H,25,27)(H,26,28)/t16-,17+,23?,24?