4-methyl-7-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one Traditional Name: 4-methyl-7-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]coumarin Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=NN=C(O3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=NN=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-14-11-20(24)27-18-12-16(7-8-17(14)18)25-9-10-29-21-23-22-19(28-21)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3