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

Systemtic Name: (2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]proline Formula: C19H23NO2S2 MolecularWeight: 361.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC2C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2S2/c1-13-7-11-23-17(13)15(18-14(2)8-12-24-18)5-3-9-20-10-4-6-16(20)19(21)22/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1