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

Systemtic Name: 3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H15N3O4S/c1-3-24-17(23)13-9(2)12-14(18-8-19-15(12)25-13)20-11-6-4-5-10(7-11)16(21)22/h4-8H,3H2,1-2H3,(H,21,22)(H,18,19,20)