(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C26H18N2O5S MolecularWeight: 470.49652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H18N2O5S/c1-16(29)28-19-10-11-20-18(12-25(30)33-22(20)13-19)15-32-26(31)21-7-3-5-9-24(21)34-23-8-4-2-6-17(23)14-27/h2-13H,15H2,1H3,(H,28,29)