methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]benzoate

Systemtic Name: methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]benzoate Openeye Name: methyl 3-[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]benzoate CAS Name: 3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]benzoate Traditional Name: 3-[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]benzoic acid methyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c1-18(2,3)24-17(22)19-14(9-10-25-5)15(20)12-7-6-8-13(11-12)16(21)23-4/h6-8,11,14H,9-10H2,1-5H3,(H,19,22)