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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C21H30N2O6S/c1-6-28-20(27)23-17(24)13-29-19(26)16(11-12-30-5)22-18(25)14-7-9-15(10-8-14)21(2,3)4/h7-10,16H,6,11-13H2,1-5H3,(H,22,25)(H,23,24,27)