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

Systemtic Name: 2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propionic acid Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C20H21NO4S2/c1-20(2,25)11-10-15-8-9-17(27-15)18(22)21-16(19(23)24)13-26-12-14-6-4-3-5-7-14/h3-9,16,25H,12-13H2,1-2H3,(H,21,22)(H,23,24)