(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 1-benzofuran-2-carboxylate

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 1-benzofuran-2-carboxylate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]methyl ester IUPAC Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=CC3=CC=CC=C3O2)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=CC3=CC=CC=C3O2)SC

InChI

InChI=1S/C15H13N3O4S/c1-9-13(19)18(15(23-2)17-16-9)8-21-14(20)12-7-10-5-3-4-6-11(10)22-12/h3-7H,8H2,1-2H3