5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-nitro-phenolate

Systemtic Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-nitro-phenolate Openeye Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-nitro-phenolate CAS Name: 5-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-nitrophenolate Traditional Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-nitro-phenolate Formula: C18H14N3O4S- MolecularWeight: 368.38646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c22-15-10-11(7-8-13(15)21(24)25)18(23)20-9-3-5-14(20)17-19-12-4-1-2-6-16(12)26-17/h1-2,4,6-8,10,14,22H,3,5,9H2/p-1/t14-/m0/s1