(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloranyl-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloranyl-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-(2-chloro-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H12ClN3O4S/c1-9(25-16-19-13-4-2-3-5-14(13)24-16)15(21)18-12-7-6-10(20(22)23)8-11(12)17/h2-9H,1H3,(H,18,21)/t9-/m1/s1