ethyl 6-[2-[methyl-(4-nitrophenyl)carbonyl-amino]phenyl]sulfanylhexanoate

Systemtic Name: ethyl 6-[2-[methyl-(4-nitrophenyl)carbonyl-amino]phenyl]sulfanylhexanoate Openeye Name: ethyl 6-[2-[methyl-(4-nitrobenzoyl)amino]phenyl]sulfanylhexanoate CAS Name: 6-[[2-[methyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[methyl-(4-nitrobenzoyl)amino]phenyl]sulfanylhexanoate Traditional Name: 6-[[2-[methyl-(4-nitrobenzoyl)amino]phenyl]thio]hexanoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCSC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5S/c1-3-29-21(25)11-5-4-8-16-30-20-10-7-6-9-19(20)23(2)22(26)17-12-14-18(15-13-17)24(27)28/h6-7,9-10,12-15H,3-5,8,11,16H2,1-2H3