methyl 3-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate

Systemtic Name: methyl 3-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate Openeye Name: methyl 3-[3-acetylsulfanyl-2-(tert-butoxycarbonylamino)propyl]benzoate CAS Name: 3-[3-(acetylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-acetylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate Traditional Name: 3-[3-(acetylthio)-2-(tert-butoxycarbonylamino)propyl]benzoic acid methyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC(=C1)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC(=C1)C(=O)OC)NC(=O)OC(C)(C)C

InChI

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