ethyl 2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: ethyl 2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl-(3-nitrophenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]-3-nitro-anilino)acetate CAS Name: 2-(N-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-3-nitroanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]-3-nitroanilino)acetate Traditional Name: 2-(N-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]-3-nitro-anilino)acetic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NC=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NC=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5S/c1-3-31-21(28)14-25(17-10-7-11-18(12-17)26(29)30)20(27)15-32-22-23-13-19(24(22)2)16-8-5-4-6-9-16/h4-13H,3,14-15H2,1-2H3