4-[6-chloranyl-2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[6-chloranyl-2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]benzoic acid Openeye Name: 4-[6-chloro-2-[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)amino]pyrimidin-4-yl]benzoic acid CAS Name: 4-[6-chloro-2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)amino]-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[6-chloro-2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-[(5-carbethoxy-4-methyl-thiazol-2-yl)amino]-6-chloro-pyrimidin-4-yl]benzoic acid Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)Cl)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)Cl)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H15ClN4O4S/c1-3-27-16(26)14-9(2)20-18(28-14)23-17-21-12(8-13(19)22-17)10-4-6-11(7-5-10)15(24)25/h4-8H,3H2,1-2H3,(H,24,25)(H,20,21,22,23)