methyl 2-[2-(4-butan-2-ylsulfanylphenoxy)ethyl-ethoxycarbonyl-amino]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[2-(4-butan-2-ylsulfanylphenoxy)ethyl-ethoxycarbonyl-amino]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[ethoxycarbonyl-[2-(4-sec-butylsulfanylphenoxy)ethyl]amino]-2-oxo-acetate CAS Name: 2-[2-[4-(butan-2-ylthio)phenoxy]ethyl-ethoxycarbonylamino]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[2-(4-butan-2-ylsulfanylphenoxy)ethyl-ethoxycarbonylamino]-2-oxoacetate Traditional Name: 2-[carbethoxy-[2-[4-(sec-butylthio)phenoxy]ethyl]amino]-2-keto-acetic acid methyl ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC=C(C=C1)OCCN(C(=O)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCC(C)SC1=CC=C(C=C1)OCCN(C(=O)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C18H25NO6S/c1-5-13(3)26-15-9-7-14(8-10-15)25-12-11-19(18(22)24-6-2)16(20)17(21)23-4/h7-10,13H,5-6,11-12H2,1-4H3