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

Systemtic Name: methyl (2S,4R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CC(CC2C(=O)OC)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCCN2C[C@@H](C[C@H]2C(=O)OC)O)C3=C(C=CS3)C

InChI

InChI=1S/C20H25NO3S2/c1-13-6-9-25-18(13)16(19-14(2)7-10-26-19)5-4-8-21-12-15(22)11-17(21)20(23)24-3/h5-7,9-10,15,17,22H,4,8,11-12H2,1-3H3/t15-,17+/m1/s1