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

Systemtic Name: (2R)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-phenyl-propionate Formula: C19H18NO4S- MolecularWeight: 356.41552

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