[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(5-nitro-2-thienyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(5-nitro-2-thienyl)methanone Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(S2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(S2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15N3O3S2/c21-17(14-7-8-15(24-14)20(22)23)19-9-3-4-11(10-19)16-18-12-5-1-2-6-13(12)25-16/h1-2,5-8,11H,3-4,9-10H2/t11-/m0/s1