[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C25H38N2O4S MolecularWeight: 462.64522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H38N2O4S/c1-17-8-6-7-9-20(17)26-22(28)16-31-24(30)21(14-15-32-5)27-23(29)18-10-12-19(13-11-18)25(2,3)4/h10-13,17,20-21H,6-9,14-16H2,1-5H3,(H,26,28)(H,27,29)