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

Systemtic Name: methyl 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl]thio]acetic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSCC(=O)OC)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSCC(=O)OC)C

InChI

InChI=1S/C16H17N3O3S/c1-18-12-6-4-5-7-13(12)19(2)16(18)11(8-17)14(20)9-23-10-15(21)22-3/h4-7H,9-10H2,1-3H3