methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(methylsulfanylmethoxy)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(methylsulfanylmethoxy)phenyl]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(methylsulfanylmethoxy)phenyl]propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-[(methylthio)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(methylsulfanylmethoxy)phenyl]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-[(methylthio)methoxy]phenyl]propionic acid methyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCSC)C(=O)OC

InChI

InChI=1S/C17H25NO5S/c1-17(2,3)23-16(20)18-14(15(19)21-4)10-12-6-8-13(9-7-12)22-11-24-5/h6-9,14H,10-11H2,1-5H3,(H,18,20)/t14-/m0/s1