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

Systemtic Name: 5-chloranyl-2-methoxy-4-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 5-chloro-4-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 5-chloro-4-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(=O)OC(C)C

InChI

InChI=1S/C19H18ClN3O5S/c1-8(2)28-19(26)15-9(3)14-16(21-7-22-17(14)29-15)23-12-6-13(27-4)10(18(24)25)5-11(12)20/h5-8H,1-4H3,(H,24,25)(H,21,22,23)