3-[5-(4-bromophenyl)pentyl]-4-cyclohexyl-2-oxidanylidene-1,3-thiazole-5-carboxylic acid

Systemtic Name: 3-[5-(4-bromophenyl)pentyl]-4-cyclohexyl-2-oxidanylidene-1,3-thiazole-5-carboxylic acid Openeye Name: 3-[5-(4-bromophenyl)pentyl]-4-cyclohexyl-2-oxo-thiazole-5-carboxylic acid CAS Name: 3-[5-(4-bromophenyl)pentyl]-4-cyclohexyl-2-oxo-5-thiazolecarboxylic acid IUPAC Name: 3-[5-(4-bromophenyl)pentyl]-4-cyclohexyl-2-oxo-1,3-thiazole-5-carboxylic acid Traditional Name: 3-[5-(4-bromophenyl)pentyl]-4-cyclohexyl-2-keto-4-thiazoline-5-carboxylic acid Formula: C21H26BrNO3S MolecularWeight: 452.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(SC(=O)N2CCCCCC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C(SC(=O)N2CCCCCC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H26BrNO3S/c22-17-12-10-15(11-13-17)7-3-2-6-14-23-18(16-8-4-1-5-9-16)19(20(24)25)27-21(23)26/h10-13,16H,1-9,14H2,(H,24,25)