2-[2-methoxy-4-[4-(phenylmethyl)piperidin-1-yl]carbothioyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[4-(phenylmethyl)piperidin-1-yl]carbothioyl-phenoxy]ethanoic acid Openeye Name: 2-[4-(4-benzylpiperidine-1-carbothioyl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]phenoxy]acetic acid IUPAC Name: 2-[4-(4-benzylpiperidine-1-carbothioyl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(4-benzylpiperidine-1-carbothioyl)-2-methoxy-phenoxy]acetic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCC(CC2)CC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCC(CC2)CC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C22H25NO4S/c1-26-20-14-18(7-8-19(20)27-15-21(24)25)22(28)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,24,25)