[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)CCSC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)CCSC5=CC=CC=C5)C

InChI

InChI=1S/C30H35NO4S/c1-20-8-9-24(12-21(20)2)29-14-22-13-23(15-29)17-30(16-22,19-29)28(34)35-18-27(33)31-26(32)10-11-36-25-6-4-3-5-7-25/h3-9,12,22-23H,10-11,13-19H2,1-2H3,(H,31,32,33)