methyl 3-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSCCC(=O)OC

InChI

InChI=1S/C18H27NO4S/c1-18(2,3)14-5-7-15(8-6-14)23-11-10-19-16(20)13-24-12-9-17(21)22-4/h5-8H,9-13H2,1-4H3,(H,19,20)