4-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-1,4-benzothiazin-3-one Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C(=O)CSC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)CCN2C(=O)CSC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O2S2/c26-20(11-13-25-16-7-2-4-10-19(16)28-14-21(25)27)24-12-5-8-17(24)22-23-15-6-1-3-9-18(15)29-22/h1-4,6-7,9-10,17H,5,8,11-14H2