5-oxidanylidene-5-[3-oxidanyl-4-(2-thiophen-2-ylethylamino)pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-oxidanylidene-5-[3-oxidanyl-4-(2-thiophen-2-ylethylamino)pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-hydroxy-4-[2-(2-thienyl)ethylamino]pyrrolidin-1-yl]-2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-hydroxy-4-(2-thiophen-2-ylethylamino)-1-pyrrolidinyl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-hydroxy-4-(2-thiophen-2-ylethylamino)pyrrolidin-1-yl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-hydroxy-4-[2-(2-thienyl)ethylamino]pyrrolidino]-2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CC(C(C1)O)NCCC2=CC=CS2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCC(=O)N1CC(C(C1)O)NCCC2=CC=CS2)(C#N)C3=CC=CS3

InChI

InChI=1S/C22H29N3O2S2/c1-16(2)22(15-23,20-6-4-12-29-20)9-7-21(27)25-13-18(19(26)14-25)24-10-8-17-5-3-11-28-17/h3-6,11-12,16,18-19,24,26H,7-10,13-14H2,1-2H3