(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CSC(=N2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CSC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C25H29N3O3S2/c1-25(2,3)18-10-8-17(9-11-18)22(29)28-21(12-14-32-4)24(30)31-15-19-16-33-23(27-19)20-7-5-6-13-26-20/h5-11,13,16,21H,12,14-15H2,1-4H3,(H,28,29)