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

Systemtic Name: 6-chloranyl-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C21H19ClN2O3S MolecularWeight: 414.90516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4N3CCOC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4N3CCOC)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-13-9-19-15(11-16(13)22)14(10-20(25)27-19)12-28-21-23-17-5-3-4-6-18(17)24(21)7-8-26-2/h3-6,9-11H,7-8,12H2,1-2H3