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

Systemtic Name: 2-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-3-25-18(24)15-10(2)14-16(19-9-20-17(14)26-15)21-12-6-4-11(5-7-12)8-13(22)23/h4-7,9H,3,8H2,1-2H3,(H,22,23)(H,19,20,21)