(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-nitrophenyl)propionamide Formula: C18H18N2O5S MolecularWeight: 374.41092

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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)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18N2O5S/c1-12(18(21)19-14-5-2-3-6-15(14)20(22)23)26-13-7-8-16-17(11-13)25-10-4-9-24-16/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,21)/t12-/m1/s1