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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C25H17NO5S MolecularWeight: 443.47118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H17NO5S/c1-29-18-10-11-19-17(12-24(27)31-21(19)13-18)15-30-25(28)20-7-3-5-9-23(20)32-22-8-4-2-6-16(22)14-26/h2-13H,15H2,1H3