[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C22H20BrN3O3S/c1-14-10-15(23)8-9-20(14)30-13-21(28)29-12-19(27)16(11-24)22-25(2)17-6-4-5-7-18(17)26(22)3/h4-10H,12-13H2,1-3H3