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

Systemtic Name: (2R)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-2-phenyl-acetate Formula: C18H16NO4S- MolecularWeight: 342.38894

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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)N[C@H](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)/p-1/t15-/m1/s1