2-[4-(3-naphthalen-2-yloxypyrrolidin-1-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[4-(3-naphthalen-2-yloxypyrrolidin-1-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[4-[3-(2-naphthyloxy)pyrrolidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-[3-(2-naphthalenyloxy)-1-pyrrolidinyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[4-(3-naphthalen-2-yloxypyrrolidin-1-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-[3-(2-naphthoxy)pyrrolidino]butyl]-1,2-benzothiazol-3-one Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC3=CC=CC=C3C=C2)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CC1OC2=CC3=CC=CC=C3C=C2)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H26N2O4S/c28-25-23-9-3-4-10-24(23)32(29,30)27(25)15-6-5-14-26-16-13-22(18-26)31-21-12-11-19-7-1-2-8-20(19)17-21/h1-4,7-12,17,22H,5-6,13-16,18H2