tert-butyl (2R)-2-[(S)-(2-ethyl-3-methyl-1-benzothiophen-7-yl)-oxidanyl-methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[(S)-(2-ethyl-3-methyl-1-benzothiophen-7-yl)-oxidanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(S)-(2-ethyl-3-methyl-benzothiophen-7-yl)-hydroxy-methyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[(S)-(2-ethyl-3-methyl-1-benzothiophen-7-yl)-hydroxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(S)-(2-ethyl-3-methyl-1-benzothiophen-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[(S)-(2-ethyl-3-methyl-benzothiophen-7-yl)-hydroxy-methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)C(=CC=C2)C(C3CCCN3C(=O)OC(C)(C)C)O)C

Isomeric SMILES

CCC1=C(C2=C(S1)C(=CC=C2)[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C21H29NO3S/c1-6-17-13(2)14-9-7-10-15(19(14)26-17)18(23)16-11-8-12-22(16)20(24)25-21(3,4)5/h7,9-10,16,18,23H,6,8,11-12H2,1-5H3/t16-,18+/m1/s1