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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H17NO4S MolecularWeight: 427.47178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H17NO4S/c1-16-10-11-19-18(13-24(27)30-21(19)12-16)15-29-25(28)20-7-3-5-9-23(20)31-22-8-4-2-6-17(22)14-26/h2-13H,15H2,1H3