6-ethyl-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]methyl]coumarin Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CCOC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CCOC)O

InChI

InChI=1S/C22H22N2O4S/c1-3-14-10-16-15(11-21(26)28-20(16)12-19(14)25)13-29-22-23-17-6-4-5-7-18(17)24(22)8-9-27-2/h4-7,10-12,25H,3,8-9,13H2,1-2H3