N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=O)C2=CC3=C(C=C2)N=CS3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@@H](CNC(=O)C2=CC3=C(C=C2)N=CS3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-14(10-1-4-12(5-2-10)19(22)23)8-17-16(21)11-3-6-13-15(7-11)24-9-18-13/h1-7,9,14,20H,8H2,(H,17,21)/t14-/m1/s1