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

Systemtic Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]coumarin Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)C(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)C(C)C)C

InChI

InChI=1S/C29H28N2O3S/c1-5-33-22-12-10-21(11-13-22)31-26-9-7-6-8-25(26)30-29(31)35-17-20-15-28(32)34-27-14-19(4)23(18(2)3)16-24(20)27/h6-16,18H,5,17H2,1-4H3