2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-pyrrolidino-ethanone Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S2/c17-12(15-5-1-2-6-15)8-20-13-14-10-4-3-9(16(18)19)7-11(10)21-13/h3-4,7H,1-2,5-6,8H2