2-[[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxy-phenyl]amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxy-phenyl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-[(2-chlorophenyl)methylamino]-5-isopropoxy-anilino]thiazole-5-carboxylic acid CAS Name: 2-[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxyanilino]-5-thiazolecarboxylic acid IUPAC Name: 2-[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxyanilino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-[(2-chlorobenzyl)amino]-5-isopropoxy-anilino]thiazole-5-carboxylic acid Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)NCC2=CC=CC=C2Cl)NC3=NC=C(S3)C(=O)O

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)NCC2=CC=CC=C2Cl)NC3=NC=C(S3)C(=O)O

InChI

InChI=1S/C20H20ClN3O3S/c1-12(2)27-16-8-14(22-10-13-5-3-4-6-17(13)21)7-15(9-16)24-20-23-11-18(28-20)19(25)26/h3-9,11-12,22H,10H2,1-2H3,(H,23,24)(H,25,26)