methyl 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate

Systemtic Name: methyl 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate Openeye Name: methyl 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate CAS Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]-1-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylate Traditional Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]benzimidazole-1-carboxylic acid methyl ester Formula: C28H24N2O2S MolecularWeight: 452.56736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4C(=O)OC)C

InChI

InChI=1S/C28H24N2O2S/c1-28(2)16-17-33-25-15-12-20(18-22(25)28)9-8-19-10-13-21(14-11-19)26-29-23-6-4-5-7-24(23)30(26)27(31)32-3/h4-7,10-15,18H,16-17H2,1-3H3