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

Systemtic Name: (3R)-3-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (3R)-3-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (3R)-3-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (3R)-3-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (3R)-3-[[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(CC(=O)[O-])C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)O

InChI

InChI=1S/C19H19NO4S/c1-19(2,24)11-10-14-8-9-16(25-14)18(23)20-15(12-17(21)22)13-6-4-3-5-7-13/h3-9,15,24H,12H2,1-2H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1