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

Systemtic Name: (2S)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2S)-3-benzylsulfanyl-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2S)-3-benzylsulfanyl-2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-(benzylthio)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propionate Formula: C20H20NO4S2- MolecularWeight: 402.5071

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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)N[C@H](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)/p-1/t16-/m1/s1