(6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: (6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid (6-cyano-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C29H20ClN3O4S2 MolecularWeight: 574.0698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=C(SC2=C1C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C#N)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C(=O)OC1=C(SC2=C1C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C#N)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H20ClN3O4S2/c1-29(2,37-21-15-13-18(30)14-16-21)27(35)36-24-22(17-31)39-26-23(24)25(34)32(19-9-5-3-6-10-19)28(38)33(26)20-11-7-4-8-12-20/h3-16H,1-2H3