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

Systemtic Name: 2-[2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(6-ethoxycarbonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(6-ethoxycarbonyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(6-ethoxycarbonyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(6-carbethoxy-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C19H17N3O6S/c1-3-28-19(27)15-10(2)14-16(29-15)20-9-22(17(14)24)8-13(23)21-12-7-5-4-6-11(12)18(25)26/h4-7,9H,3,8H2,1-2H3,(H,21,23)(H,25,26)