heptan-3-yl 3-[2-[(3-methyl-4-nitro-phenyl)carbonylamino]phenyl]sulfanylpropanoate

Systemtic Name: heptan-3-yl 3-[2-[(3-methyl-4-nitro-phenyl)carbonylamino]phenyl]sulfanylpropanoate Openeye Name: 1-ethylpentyl 3-[2-[(3-methyl-4-nitro-benzoyl)amino]phenyl]sulfanylpropanoate CAS Name: 3-[[2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]phenyl]thio]propanoic acid heptan-3-yl ester IUPAC Name: heptan-3-yl 3-[2-[(3-methyl-4-nitrobenzoyl)amino]phenyl]sulfanylpropanoate Traditional Name: 3-[[2-[(3-methyl-4-nitro-benzoyl)amino]phenyl]thio]propionic acid 1-ethylpentyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC(=O)CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCC(CC)OC(=O)CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C24H30N2O5S/c1-4-6-9-19(5-2)31-23(27)14-15-32-22-11-8-7-10-20(22)25-24(28)18-12-13-21(26(29)30)17(3)16-18/h7-8,10-13,16,19H,4-6,9,14-15H2,1-3H3,(H,25,28)