ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: ethyl 5-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]pentanoate CAS Name: 3-[(4-methoxyphenyl)methylthio]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 5-(tert-butoxycarbonylamino)-3-(p-anisylthio)valeric acid ethyl ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCNC(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)CC(CCNC(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C20H31NO5S/c1-6-25-18(22)13-17(11-12-21-19(23)26-20(2,3)4)27-14-15-7-9-16(24-5)10-8-15/h7-10,17H,6,11-14H2,1-5H3,(H,21,23)