(2R)-2-(1-benzothiophen-4-yloxymethyl)-2-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: (2R)-2-(1-benzothiophen-4-yloxymethyl)-2-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylic acid Openeye Name: (2R)-2-(benzothiophen-4-yloxymethyl)-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid CAS Name: (2R)-2-(1-benzothiophen-4-yloxymethyl)-2-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: (2R)-2-(1-benzothiophen-4-yloxymethyl)-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid Traditional Name: (2R)-2-(benzothiophen-4-yloxymethyl)-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2(CCCN2C(=O)O)COC3=C4C=CSC4=CC=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@]2(CCCN2C(=O)O)COC3=C4C=CSC4=CC=C3)C#N

InChI

InChI=1S/C20H21N3O4S/c21-12-14-4-2-9-22(14)18(24)20(8-3-10-23(20)19(25)26)13-27-16-5-1-6-17-15(16)7-11-28-17/h1,5-7,11,14H,2-4,8-10,13H2,(H,25,26)/t14-,20+/m0/s1