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

Systemtic Name: (6-ethanoyl-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: (6-acetyl-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-acetyl-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-acetyl-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-acetyl-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C30H23ClN2O5S2 MolecularWeight: 591.09702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(C)(C)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(C)(C)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H23ClN2O5S2/c1-18(34)25-24(37-28(36)30(2,3)38-22-16-14-19(31)15-17-22)23-26(35)32(20-10-6-4-7-11-20)29(39)33(27(23)40-25)21-12-8-5-9-13-21/h4-17H,1-3H3