(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H23N3O4S/c28-23-18-11-4-6-12-20(18)25-26-27(23)15-30-24(29)22-19(14-32-16-8-2-1-3-9-16)17-10-5-7-13-21(17)31-22/h4-7,10-13,16H,1-3,8-9,14-15H2