methyl 2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-(3-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[5,6-dimethyl-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O3S2/c1-11-12(2)25-16-15(11)17(22)20(9-13-7-5-4-6-8-13)18(19-16)24-10-14(21)23-3/h4-8H,9-10H2,1-3H3