(3-cyclohexyl-6-ethanoyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 2,4-bis(chloranyl)benzoate

Systemtic Name: (3-cyclohexyl-6-ethanoyl-4-oxidanylidene-1-phenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 2,4-bis(chloranyl)benzoate Openeye Name: (6-acetyl-3-cyclohexyl-4-oxo-1-phenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid (6-acetyl-3-cyclohexyl-4-oxo-1-phenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-acetyl-3-cyclohexyl-4-oxo-1-phenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid (6-acetyl-3-cyclohexyl-4-keto-1-phenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C27H22Cl2N2O4S2 MolecularWeight: 573.51058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3CCCCC3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3CCCCC3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H22Cl2N2O4S2/c1-15(32)23-22(35-26(34)19-13-12-16(28)14-20(19)29)21-24(33)30(17-8-4-2-5-9-17)27(36)31(25(21)37-23)18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9H2,1H3