7-ethyl-4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]coumarin Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC)C=CC(=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC)C=CC(=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H27N3O5S2/c1-3-17-5-7-20-18(14-24(29)33-23(20)13-17)16-34-25-26-21-15-19(6-8-22(21)28(25)4-2)35(30,31)27-9-11-32-12-10-27/h5-8,13-15H,3-4,9-12,16H2,1-2H3