[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)N2

InChI

InChI=1S/C23H16ClN3O3S/c24-16-7-3-5-14-6-4-10-20(22(14)16)31-13-21(29)30-12-19(28)15(11-25)23-26-17-8-1-2-9-18(17)27-23/h1-10,26-27H,12-13H2