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

Systemtic Name: methyl 4-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H16N2O3S2/c1-26-20(25)15-9-7-13(8-10-15)11-28-21-22-18(24)17-16(12-27-19(17)23-21)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,24)