(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C23H19NO6S MolecularWeight: 437.46506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C23H19NO6S/c1-13(25)24-15-7-8-16-14(9-21(26)29-20(16)10-15)11-28-23(27)22-18(12-31-2)17-5-3-4-6-19(17)30-22/h3-10H,11-12H2,1-2H3,(H,24,25)