4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C21H20N2O3S/c1-4-25-15-6-8-17-18(10-15)23-21(22-17)27-11-14-9-19(24)26-20-13(3)12(2)5-7-16(14)20/h5-10H,4,11H2,1-3H3,(H,22,23)