2-[3-cyclopentylpropanoyl-[4-(3-methoxyprop-1-ynyl)phenyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-cyclopentylpropanoyl-[4-(3-methoxyprop-1-ynyl)phenyl]amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[N-(3-cyclopentylpropanoyl)-4-(3-methoxyprop-1-ynyl)anilino]thiazole-4-carboxylic acid CAS Name: 2-[N-(3-cyclopentyl-1-oxopropyl)-4-(3-methoxyprop-1-ynyl)anilino]-4-thiazolecarboxylic acid IUPAC Name: 2-[N-(3-cyclopentylpropanoyl)-4-(3-methoxyprop-1-ynyl)anilino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[N-(3-cyclopentylpropanoyl)-4-(3-methoxyprop-1-ynyl)anilino]thiazole-4-carboxylic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC=C(C=C1)N(C2=NC(=CS2)C(=O)O)C(=O)CCC3CCCC3

Isomeric SMILES

COCC#CC1=CC=C(C=C1)N(C2=NC(=CS2)C(=O)O)C(=O)CCC3CCCC3

InChI

InChI=1S/C22H24N2O4S/c1-28-14-4-7-17-8-11-18(12-9-17)24(22-23-19(15-29-22)21(26)27)20(25)13-10-16-5-2-3-6-16/h8-9,11-12,15-16H,2-3,5-6,10,13-14H2,1H3,(H,26,27)