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1-[1-benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
1-[1-benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)OC)OC
Isomeric SMILES
COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)OC)OC
InChI
InChI=1S/C23H25NO5S/c1-27-17-13-19(29-3)18(28-2)12-15(17)22(24-10-6-8-16(24)23(25)26)21-11-14-7-4-5-9-20(14)30-21/h4-5,7,9,11-13,16,22H,6,8,10H2,1-3H3,(H,25,26)
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- (3-ethoxy-4-methoxy-phenyl)methylidene-(methylcarbamothioylamino)azanium
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- [3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene-(methylcarbamothioylamino)azanium
