(2S)-2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(3-ethoxycarbonyl-2-pyridyl)carbamothioylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(3-ethoxycarbonyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-carbethoxy-2-pyridyl)thiocarbamoylamino]-3-methyl-butyric acid Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)NC(=S)NC(C(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)NC(=S)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C14H19N3O4S/c1-4-21-13(20)9-6-5-7-15-11(9)17-14(22)16-10(8(2)3)12(18)19/h5-8,10H,4H2,1-3H3,(H,18,19)(H2,15,16,17,22)/t10-/m0/s1