[2-(dimethylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)N(C)C

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)15-9-7-14(8-10-15)18(24)21-16(11-12-27-6)19(25)26-13-17(23)22(4)5/h7-10,16H,11-13H2,1-6H3,(H,21,24)/t16-/m1/s1