1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(thiazol-4-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-[4-(4-thiazolylmethoxy)phenyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(thiazol-4-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)OCC4=CSC=N4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)OCC4=CSC=N4)C(=O)O

InChI

InChI=1S/C21H18N2O4S/c24-20(14-6-8-16(9-7-14)27-11-15-12-28-13-22-15)23-10-2-4-17-18(21(25)26)3-1-5-19(17)23/h1,3,5-9,12-13H,2,4,10-11H2,(H,25,26)