(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

InChI

InChI=1S/C26H19NO4S/c1-16-11-12-20-19(13-24(28)31-25(20)17(16)2)15-30-26(29)21-8-4-6-10-23(21)32-22-9-5-3-7-18(22)14-27/h3-13H,15H2,1-2H3