2-morpholin-4-ylcarbonyl-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoic acid

Systemtic Name: 2-morpholin-4-ylcarbonyl-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoic acid Openeye Name: 2-(morpholine-4-carbonyl)-4-[2-(2-pyridylamino)thiazol-5-yl]sulfanyl-benzoic acid CAS Name: 2-[4-morpholinyl(oxo)methyl]-4-[[2-(2-pyridinylamino)-5-thiazolyl]thio]benzoic acid IUPAC Name: 2-(morpholine-4-carbonyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoic acid Traditional Name: 2-(morpholine-4-carbonyl)-4-[[2-(2-pyridylamino)thiazol-5-yl]thio]benzoic acid Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C20H18N4O4S2/c25-18(24-7-9-28-10-8-24)15-11-13(4-5-14(15)19(26)27)29-17-12-22-20(30-17)23-16-3-1-2-6-21-16/h1-6,11-12H,7-10H2,(H,26,27)(H,21,22,23)