2-[(4-phenoxyphenyl)carbonyl-(thian-4-yl)amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(4-phenoxyphenyl)carbonyl-(thian-4-yl)amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(4-phenoxybenzoyl)-tetrahydrothiopyran-4-yl-amino]thiazole-5-carboxylic acid CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]-(4-thianyl)amino]-5-thiazolecarboxylic acid IUPAC Name: 2-[(4-phenoxybenzoyl)-(thian-4-yl)amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-phenoxybenzoyl)-tetrahydrothiopyran-4-yl-amino]thiazole-5-carboxylic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CSCCC1N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S2/c25-20(15-6-8-18(9-7-15)28-17-4-2-1-3-5-17)24(16-10-12-29-13-11-16)22-23-14-19(30-22)21(26)27/h1-9,14,16H,10-13H2,(H,26,27)