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

Systemtic Name: 1,1-bis(oxidanylidene)-2-[4-(3-phenoxypyrrolidin-1-yl)butyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[4-(3-phenoxypyrrolidin-1-yl)butyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[4-(3-phenoxy-1-pyrrolidinyl)butyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[4-(3-phenoxypyrrolidin-1-yl)butyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-(3-phenoxypyrrolidino)butyl]-1,2-benzothiazol-3-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC=CC=C2)CCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CN(CC1OC2=CC=CC=C2)CCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H24N2O4S/c24-21-19-10-4-5-11-20(19)28(25,26)23(21)14-7-6-13-22-15-12-18(16-22)27-17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2