(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-nitrophenyl)propionamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16N2O5S/c1-11(17(20)18-13-4-2-3-5-14(13)19(21)22)25-12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)/t11-/m1/s1