7-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine

Systemtic Name: 7-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 7-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 7-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 7-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 7-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-12(13-4-2-5-14(10-13)18(19)20)23-15-6-7-16-17(11-15)22-9-3-8-21-16/h2,4-7,10-12H,3,8-9H2,1H3/t12-/m1/s1