methyl 2-[5-bromanyl-2-methoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-2-methoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetate CAS Name: 2-[5-bromo-2-methoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetate Traditional Name: 2-[5-bromo-2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetic acid methyl ester Formula: C17H22BrNO4S MolecularWeight: 416.32988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC(=O)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC(=O)OC)OC

InChI

InChI=1S/C17H22BrNO4S/c1-11-4-6-19(7-5-11)17(24)12-8-14(21-2)15(9-13(12)18)23-10-16(20)22-3/h8-9,11H,4-7,10H2,1-3H3