6-ethyl-7-oxidanyl-4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)CC4=CC=CC=C4)O

InChI

InChI=1S/C21H18N2O4S/c1-2-14-9-16-15(10-20(25)26-18(16)11-17(14)24)12-28-21-23-22-19(27-21)8-13-6-4-3-5-7-13/h3-7,9-11,24H,2,8,12H2,1H3