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

Systemtic Name: 4-[(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(6-ethoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-carbethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(24)14-9(2)13-15(19-10(3)20-16(13)26-14)21-12-7-5-11(6-8-12)17(22)23/h5-8H,4H2,1-3H3,(H,22,23)(H,19,20,21)