[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H31ClN2O4S MolecularWeight: 479.03194

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H31ClN2O4S/c1-32-7-6-20(26-22(29)18-4-2-3-5-19(18)25)23(30)31-14-21(28)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17,20H,6-14H2,1H3,(H,26,29)(H,27,28)