1,1-bis(oxidanylidene)-2-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[(2-pyrrolidino-4-pyridyl)methyl]-1,2-benzothiazol-3-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C17H17N3O3S/c21-17-14-5-1-2-6-15(14)24(22,23)20(17)12-13-7-8-18-16(11-13)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10,12H2