ethyl 6-[2-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylhexanoate

Systemtic Name: ethyl 6-[2-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylhexanoate Openeye Name: ethyl 6-[2-[(4-nitrobenzoyl)amino]phenyl]sulfanylhexanoate CAS Name: 6-[[2-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[(4-nitrobenzoyl)amino]phenyl]sulfanylhexanoate Traditional Name: 6-[[2-[(4-nitrobenzoyl)amino]phenyl]thio]hexanoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-2-28-20(24)10-4-3-7-15-29-19-9-6-5-8-18(19)22-21(25)16-11-13-17(14-12-16)23(26)27/h5-6,8-9,11-14H,2-4,7,10,15H2,1H3,(H,22,25)