2-(6,6-dimethyl-1-phenyl-2-thiophen-3-yl-5,7-dihydropyrrolizin-3-yl)ethanoic acid

Systemtic Name: 2-(6,6-dimethyl-1-phenyl-2-thiophen-3-yl-5,7-dihydropyrrolizin-3-yl)ethanoic acid Openeye Name: 2-[6,6-dimethyl-1-phenyl-2-(3-thienyl)-5,7-dihydropyrrolizin-3-yl]acetic acid CAS Name: 2-[6,6-dimethyl-1-phenyl-2-(3-thiophenyl)-5,7-dihydropyrrolizin-3-yl]acetic acid IUPAC Name: 2-(6,6-dimethyl-1-phenyl-2-thiophen-3-yl-5,7-dihydropyrrolizin-3-yl)acetic acid Traditional Name: 2-[6,6-dimethyl-1-phenyl-2-(3-thienyl)-5,7-dihydropyrrolizin-3-yl]acetic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CSC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CSC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21NO2S/c1-21(2)11-17-19(14-6-4-3-5-7-14)20(15-8-9-25-12-15)16(10-18(23)24)22(17)13-21/h3-9,12H,10-11,13H2,1-2H3,(H,23,24)