[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4S/c1-30-19-5-3-2-4-18(19)25-21(27)14-29-22(28)13-24-20(26)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,15-17H,6-14H2,1H3,(H,24,26)(H,25,27)