(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC4=NC(=NO4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC4=NC(=NO4)C)Cl

InChI

InChI=1S/C22H17ClN2O5S/c1-12-7-18-16(9-17(12)23)14(8-21(26)29-18)10-28-22(27)15-5-3-4-6-19(15)31-11-20-24-13(2)25-30-20/h3-9H,10-11H2,1-2H3