3-[(2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[(2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidin-2-yl]propanoic acid Openeye Name: 3-[(2S)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]pyrrolidin-2-yl]propanoic acid CAS Name: 3-[(2S)-1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidin-2-yl]propanoic acid Traditional Name: 3-[(2S)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]pyrrolidin-2-yl]propionic acid Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC2CCC(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCCN2CCC[C@H]2CCC(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C21H27NO2S2/c1-15-9-13-25-20(15)18(21-16(2)10-14-26-21)6-4-12-22-11-3-5-17(22)7-8-19(23)24/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3,(H,23,24)/t17-/m0/s1