methyl 4-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]butanoate CAS Name: 4-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]butanoate Traditional Name: 4-[[4-(isoamylthio)-3-nitro-benzoyl]amino]butyric acid methyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5S/c1-12(2)8-10-25-15-7-6-13(11-14(15)19(22)23)17(21)18-9-4-5-16(20)24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,18,21)