methyl 2-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]acetate Traditional Name: 2-[[4-(isoamylthio)-3-nitro-benzoyl]amino]acetic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-10(2)6-7-23-13-5-4-11(8-12(13)17(20)21)15(19)16-9-14(18)22-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,19)