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

Systemtic Name: 4-methyl-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-4-methyl-valeric acid Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC=C(S1)C#CC(C)(C)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC=C(S1)C#CC(C)(C)O

InChI

InChI=1S/C16H21NO4S/c1-10(2)9-12(15(19)20)17-14(18)13-6-5-11(22-13)7-8-16(3,4)21/h5-6,10,12,21H,9H2,1-4H3,(H,17,18)(H,19,20)