4-pyrrolidin-1-ylbut-2-ynyl 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: 4-pyrrolidin-1-ylbut-2-ynyl 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: 4-pyrrolidin-1-ylbut-2-ynyl 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid 4-(1-pyrrolidinyl)but-2-ynyl ester IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid 4-pyrrolidinobut-2-ynyl ester Formula: C18H19NO3S2 MolecularWeight: 361.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCOC(=O)C(C2=CC=CS2)(C3=CC=CS3)O

Isomeric SMILES

C1CCN(C1)CC#CCOC(=O)C(C2=CC=CS2)(C3=CC=CS3)O

InChI

InChI=1S/C18H19NO3S2/c20-17(22-12-4-3-11-19-9-1-2-10-19)18(21,15-7-5-13-23-15)16-8-6-14-24-16/h5-8,13-14,21H,1-2,9-12H2