[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-13-7-8-14(9-17(13)23(26)27)18(24)11-28-20(25)10-22-16-6-4-3-5-15(16)21-19(22)12-29-2/h3-9H,10-12H2,1-2H3