dimethyl 2-[2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC)C#N

InChI

InChI=1S/C25H20N4O5S/c1-14-10-22(29-20-7-5-4-6-18(20)28-23(29)17(14)12-26)35-13-21(30)27-19-11-15(24(31)33-2)8-9-16(19)25(32)34-3/h4-11H,13H2,1-3H3,(H,27,30)