2-[[2-[(2-chlorophenyl)methoxy]-6-methyl-quinolin-4-yl]carbonylamino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[2-[(2-chlorophenyl)methoxy]-6-methyl-quinolin-4-yl]carbonylamino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methoxy]-6-methyl-quinoline-4-carbonyl]amino]thiazole-5-carboxylic acid CAS Name: 2-[[[2-[(2-chlorophenyl)methoxy]-6-methyl-4-quinolinyl]-oxomethyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methoxy]-6-methylquinoline-4-carbonyl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[2-(2-chlorobenzyl)oxy-6-methyl-quinoline-4-carbonyl]amino]thiazole-5-carboxylic acid Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC=C(S3)C(=O)O)OCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC=C(S3)C(=O)O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O4S/c1-12-6-7-17-14(8-12)15(20(27)26-22-24-10-18(31-22)21(28)29)9-19(25-17)30-11-13-4-2-3-5-16(13)23/h2-10H,11H2,1H3,(H,28,29)(H,24,26,27)