1-[2-[4-[[6-methoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[[6-methoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine Openeye Name: 1-[2-[4-[2-(4-isopropoxyphenyl)-6-methoxy-benzothiophen-3-yl]oxyphenyl]sulfanyloxyethyl]pyrrolidine CAS Name: 4-[[6-methoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]oxy]benzenesulfenic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 1-[2-[4-[[6-methoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine Traditional Name: 1-[2-[[4-[2-(4-isopropoxyphenyl)-6-methoxy-benzothiophen-3-yl]oxyphenyl]thio]oxyethyl]pyrrolidine Formula: C30H33NO4S2 MolecularWeight: 535.71732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)OC4=CC=C(C=C4)SOCCN5CCCC5

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)OC4=CC=C(C=C4)SOCCN5CCCC5

InChI

InChI=1S/C30H33NO4S2/c1-21(2)34-23-8-6-22(7-9-23)30-29(27-15-12-25(32-3)20-28(27)36-30)35-24-10-13-26(14-11-24)37-33-19-18-31-16-4-5-17-31/h6-15,20-21H,4-5,16-19H2,1-3H3