2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H17N3O4S/c1-12(13-6-5-7-14(10-13)21(23)24)20(2)17(22)11-26-18-19-15-8-3-4-9-16(15)25-18/h3-10,12H,11H2,1-2H3/t12-/m1/s1