[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

InChI

InChI=1S/C22H21N3O3S/c1-14-7-8-16(11-15(14)2)29-10-9-21(27)28-13-20(26)17(12-23)22-24-18-5-3-4-6-19(18)25-22/h3-8,11,24-25H,9-10,13H2,1-2H3