methyl 4-[(6-methyl-4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-methyl-4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-6-methyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(S1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1CC2=C(S1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S2/c1-14-12-18-19(29-14)20(25)24(17-6-4-3-5-7-17)22(23-18)28-13-15-8-10-16(11-9-15)21(26)27-2/h3-11,14H,12-13H2,1-2H3