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

Systemtic Name: 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CCOC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CCOC)C

InChI

InChI=1S/C22H22N2O3S/c1-14-10-17-16(12-21(25)27-20(17)11-15(14)2)13-28-22-23-18-6-4-5-7-19(18)24(22)8-9-26-3/h4-7,10-12H,8-9,13H2,1-3H3