(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C28H17NO4S MolecularWeight: 463.50388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C28H17NO4S/c29-16-19-8-2-5-11-24(19)34-25-12-6-4-10-22(25)28(31)32-17-20-15-26(30)33-23-14-13-18-7-1-3-9-21(18)27(20)23/h1-15H,17H2