(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H23NO4S MolecularWeight: 469.55152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C(C)C

InChI

InChI=1S/C28H23NO4S/c1-17(2)22-14-23-20(13-27(30)33-24(23)12-18(22)3)16-32-28(31)21-9-5-7-11-26(21)34-25-10-6-4-8-19(25)15-29/h4-14,17H,16H2,1-3H3