methyl 2-(5-bromanyl-2-methoxy-4-piperidin-1-ylcarbothioyl-phenoxy)ethanoate

Systemtic Name: methyl 2-(5-bromanyl-2-methoxy-4-piperidin-1-ylcarbothioyl-phenoxy)ethanoate Openeye Name: methyl 2-[5-bromo-2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]acetate CAS Name: 2-[5-bromo-2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]acetate Traditional Name: 2-[5-bromo-2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]acetic acid methyl ester Formula: C16H20BrNO4S MolecularWeight: 402.3033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=S)N2CCCCC2)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=S)N2CCCCC2)Br)OCC(=O)OC

InChI

InChI=1S/C16H20BrNO4S/c1-20-13-8-11(16(23)18-6-4-3-5-7-18)12(17)9-14(13)22-10-15(19)21-2/h8-9H,3-7,10H2,1-2H3