1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(4-nitrophenyl)ethanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O3S/c23-18(12-13-7-9-14(10-8-13)22(24)25)21-11-3-5-16(21)19-20-15-4-1-2-6-17(15)26-19/h1-2,4,6-10,16H,3,5,11-12H2