methyl 2-[4-oxidanylidene-6-phenyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-6-phenyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-(3-benzyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxo-6-phenyl-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-benzyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S2/c1-27-19(25)14-28-22-23-17-12-18(16-10-6-3-7-11-16)29-20(17)21(26)24(22)13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3