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

Systemtic Name: 2-chloranyl-5-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 2-chloro-5-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 2-chloro-5-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 2-chloro-5-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 5-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-chloro-benzoate Formula: C17H13ClN3O4S- MolecularWeight: 390.82082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4S/c1-3-25-17(24)13-8(2)12-14(19-7-20-15(12)26-13)21-9-4-5-11(18)10(6-9)16(22)23/h4-7H,3H2,1-2H3,(H,22,23)(H,19,20,21)/p-1