methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylsulfanyl-pentanoate

Systemtic Name: methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylsulfanyl-pentanoate Openeye Name: methyl 4-(tert-butoxycarbonylamino)-5-phenylsulfanyl-pentanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylsulfanylpentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-(phenylthio)valeric acid methyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OC)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OC)CSC1=CC=CC=C1

InChI

InChI=1S/C17H25NO4S/c1-17(2,3)22-16(20)18-13(10-11-15(19)21-4)12-23-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,18,20)