[(3R,4R)-4-azanyl-1-(1-benzothiophen-2-ylcarbonyl)pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3R,4R)-4-azanyl-1-(1-benzothiophen-2-ylcarbonyl)pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R,4R)-4-amino-1-(benzothiophene-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R,4R)-4-amino-1-[1-benzothiophen-2-yl(oxo)methyl]-3-pyrrolidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R,4R)-4-amino-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R,4R)-4-amino-1-(benzothiophene-2-carbonyl)pyrrolidin-3-yl]-pyrrolidino-methanone Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CC2N)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N3O2S/c19-14-11-21(10-13(14)17(22)20-7-3-4-8-20)18(23)16-9-12-5-1-2-6-15(12)24-16/h1-2,5-6,9,13-14H,3-4,7-8,10-11,19H2/t13-,14+/m1/s1