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

Systemtic Name: 2-[[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxy-phenyl]carbonylamino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methylamino]-5-isopropoxy-benzoyl]amino]thiazole-5-carboxylic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxyphenyl]-oxomethyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzoyl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[3-[(2-chlorobenzyl)amino]-5-isopropoxy-benzoyl]amino]thiazole-5-carboxylic acid Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-12(2)29-16-8-14(19(26)25-21-24-11-18(30-21)20(27)28)7-15(9-16)23-10-13-5-3-4-6-17(13)22/h3-9,11-12,23H,10H2,1-2H3,(H,27,28)(H,24,25,26)