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

Systemtic Name: 5-chloranyl-4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 4-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-5-chloro-2-methoxy-benzoic acid Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c1-4-27-18(25)14-8(2)13-15(20-7-21-16(13)28-14)22-11-6-12(26-3)9(17(23)24)5-10(11)19/h5-7H,4H2,1-3H3,(H,23,24)(H,20,21,22)