methyl 3-[[2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate CAS Name: 3-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoyl]oxymethyl]benzoate Traditional Name: 3-[[2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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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=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C25H31NO5S/c1-25(2,3)20-11-9-18(10-12-20)22(27)26-21(13-14-32-5)24(29)31-16-17-7-6-8-19(15-17)23(28)30-4/h6-12,15,21H,13-14,16H2,1-5H3,(H,26,27)