2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-2-phenylacetic acid Traditional Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-2-phenyl-acetic acid Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)NC(C2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)NC(C2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C18H17NO4S/c1-18(2,23)11-10-13-8-9-14(24-13)16(20)19-15(17(21)22)12-6-4-3-5-7-12/h3-9,15,23H,1-2H3,(H,19,20)(H,21,22)