(2R)-2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=C(O2)C=C(C=C3)Cl

InChI

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