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

Systemtic Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(N3)C=C(C=C4)OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(N3)C=C(C=C4)OC)C(C)C

InChI

InChI=1S/C22H22N2O3S/c1-12(2)16-10-17-14(8-21(25)27-20(17)7-13(16)3)11-28-22-23-18-6-5-15(26-4)9-19(18)24-22/h5-10,12H,11H2,1-4H3,(H,23,24)