ethyl 2-[4-(3-methylbutylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-methylbutylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(isopentylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(3-methylbutylamino)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methylbutylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(isoamylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5S/c1-4-23-15(19)10-24-14-6-5-12(9-13(14)18(21)22)16(20)17-8-7-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,20)