4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C23H24N2O3S MolecularWeight: 408.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

InChI=1S/C23H24N2O3S/c1-5-27-16-6-7-19-20(10-16)25-23(24-19)29-12-15-9-22(26)28-21-8-14(4)17(13(2)3)11-18(15)21/h6-11,13H,5,12H2,1-4H3,(H,24,25)