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

Systemtic Name: 2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-phenyl-propionic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C19H19NO4S/c1-19(2,24)11-10-14-8-9-16(25-14)17(21)20-15(18(22)23)12-13-6-4-3-5-7-13/h3-9,15,24H,12H2,1-2H3,(H,20,21)(H,22,23)