2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioic S-acid

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioic S-acid Openeye Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-4-piperidyl]ethanethioic S-acid CAS Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-4-piperidinyl]ethanethioic S-acid IUPAC Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioic S-acid Traditional Name: 2-[2-keto-1-(4-phenoxybenzyl)-4-piperidyl]thioacetic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CC1CC(=O)S)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CC1CC(=O)S)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c22-19-12-16(13-20(23)25)10-11-21(19)14-15-6-8-18(9-7-15)24-17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,25)