2-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1,3-oxazole-4-carboxylic acid Openeye Name: 2-(2-thienyl)-5-(2,4,4-trimethylpentyl)oxazole-4-carboxylic acid CAS Name: 2-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-4-oxazolecarboxylic acid IUPAC Name: 2-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1,3-oxazole-4-carboxylic acid Traditional Name: 2-(2-thienyl)-5-(2,4,4-trimethylpentyl)oxazole-4-carboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N=C(O1)C2=CC=CS2)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CC1=C(N=C(O1)C2=CC=CS2)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C16H21NO3S/c1-10(9-16(2,3)4)8-11-13(15(18)19)17-14(20-11)12-6-5-7-21-12/h5-7,10H,8-9H2,1-4H3,(H,18,19)