2-[6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-(3-benzyl-6-ethoxycarbonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[[6-ethoxycarbonyl-5-methyl-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-(3-benzyl-6-ethoxycarbonyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-benzyl-6-carbethoxy-4-keto-5-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC(=O)O)C

InChI

InChI=1S/C19H18N2O5S2/c1-3-26-18(25)15-11(2)14-16(28-15)20-19(27-10-13(22)23)21(17(14)24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,22,23)