[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C22H28N2O4S/c23-19(25)13-29-18-4-2-1-3-17(18)24-20(26)12-28-21(27)11-22-8-14-5-15(9-22)7-16(6-14)10-22/h1-4,14-16H,5-13H2,(H2,23,25)(H,24,26)