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

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClNO3S/c26-19-5-7-20(8-6-19)31-22-4-2-1-3-21(22)27-23(28)15-30-24(29)25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18H,9-15H2,(H,27,28)