1-[2-[2-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]piperidine

Systemtic Name: 1-[2-[2-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]piperidine Openeye Name: 1-[2-[2-[2-(4-methoxyphenyl)benzothiophen-3-yl]oxyphenyl]sulfanyloxyethyl]piperidine CAS Name: 2-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 1-[2-[2-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]piperidine Traditional Name: 1-[2-[[2-[2-(4-methoxyphenyl)benzothiophen-3-yl]oxyphenyl]thio]oxyethyl]piperidine Formula: C28H29NO3S2 MolecularWeight: 491.66476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)OC4=CC=CC=C4SOCCN5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)OC4=CC=CC=C4SOCCN5CCCCC5

InChI

InChI=1S/C28H29NO3S2/c1-30-22-15-13-21(14-16-22)28-27(23-9-3-5-11-25(23)33-28)32-24-10-4-6-12-26(24)34-31-20-19-29-17-7-2-8-18-29/h3-6,9-16H,2,7-8,17-20H2,1H3