1-[2-[4-[[2-(4-methoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[[2-(4-methoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine Openeye Name: 1-[2-[4-[6-benzyloxy-2-(4-methoxyphenyl)benzothiophen-3-yl]oxyphenyl]sulfanyloxyethyl]pyrrolidine CAS Name: 4-[[2-(4-methoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 1-[2-[4-[[2-(4-methoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine Traditional Name: 1-[2-[[4-[6-benzoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]oxyphenyl]thio]oxyethyl]pyrrolidine Formula: C34H33NO4S2 MolecularWeight: 583.76012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)OC5=CC=C(C=C5)SOCCN6CCCC6

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)OC5=CC=C(C=C5)SOCCN6CCCC6

InChI

InChI=1S/C34H33NO4S2/c1-36-27-11-9-26(10-12-27)34-33(31-18-15-29(23-32(31)40-34)37-24-25-7-3-2-4-8-25)39-28-13-16-30(17-14-28)41-38-22-21-35-19-5-6-20-35/h2-4,7-18,23H,5-6,19-22,24H2,1H3