methyl 2-[2-[2-[(5-bromanylpyridin-2-yl)carbamothioylamino]ethyl]-4-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[2-[2-[(5-bromanylpyridin-2-yl)carbamothioylamino]ethyl]-4-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[2-[2-[(5-bromo-2-pyridyl)carbamothioylamino]ethyl]-4-methoxy-phenoxy]acetate CAS Name: 2-[2-[2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]ethyl]-4-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(5-bromopyridin-2-yl)carbamothioylamino]ethyl]-4-methoxyphenoxy]acetate Traditional Name: 2-[2-[2-[(5-bromo-2-pyridyl)thiocarbamoylamino]ethyl]-4-methoxy-phenoxy]acetic acid methyl ester Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)OC)CCNC(=S)NC2=NC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)OC)CCNC(=S)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O4S/c1-24-14-4-5-15(26-11-17(23)25-2)12(9-14)7-8-20-18(27)22-16-6-3-13(19)10-21-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,20,21,22,27)