(3-methylquinoxalin-2-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (3-methylquinoxalin-2-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 (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-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 (3-methylquinoxalin-2-yl)methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3SCC4=NC(=NO4)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3SCC4=NC(=NO4)C

InChI

InChI=1S/C21H18N4O3S/c1-13-18(24-17-9-5-4-8-16(17)22-13)11-27-21(26)15-7-3-6-10-19(15)29-12-20-23-14(2)25-28-20/h3-10H,11-12H2,1-2H3