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

Systemtic Name: methyl (2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S2/c1-14-8-12-24-18(14)16(19-15(2)9-13-25-19)6-4-10-21-11-5-7-17(21)20(22)23-3/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3/t17-/m0/s1