ethyl 4-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C23H20N2O3S2/c1-3-28-22(27)17-11-9-15(10-12-17)13-29-23-24-20(26)19-18(14(2)30-21(19)25-23)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,24,25,26)