6-chloranyl-7-ethyl-4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)COC4=CC=C(C=C4)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)COC4=CC=C(C=C4)C)Cl

InChI

InChI=1S/C22H19ClN2O4S/c1-3-14-8-19-17(10-18(14)23)15(9-21(26)28-19)12-30-22-25-24-20(29-22)11-27-16-6-4-13(2)5-7-16/h4-10H,3,11-12H2,1-2H3