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

Systemtic Name: 3-[(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(6-ethoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(6-carbethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC=CC(=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)21-12-7-5-6-11(8-12)17(22)23/h5-8H,4H2,1-3H3,(H,22,23)(H,19,20,21)/p-1