[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClNO4S/c26-18-5-7-19(8-6-18)32-21-4-2-1-3-20(21)27-22(28)14-31-23(29)24-10-16-9-17(11-24)13-25(30,12-16)15-24/h1-8,16-17,30H,9-15H2,(H,27,28)