4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 7-methoxy-4-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]coumarin Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C26H22N2O4S/c1-3-31-19-10-8-18(9-11-19)28-23-7-5-4-6-22(23)27-26(28)33-16-17-14-25(29)32-24-15-20(30-2)12-13-21(17)24/h4-15H,3,16H2,1-2H3