2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]propanoic acid

Systemtic Name: 2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]propanoic acid Openeye Name: 2-[(3-ethoxycarbonyl-2-pyridyl)carbamothioylamino]propanoic acid CAS Name: 2-[[[(3-ethoxycarbonyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]propanoic acid Traditional Name: 2-[(3-carbethoxy-2-pyridyl)thiocarbamoylamino]propionic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-3-19-11(18)8-5-4-6-13-9(8)15-12(20)14-7(2)10(16)17/h4-7H,3H2,1-2H3,(H,16,17)(H2,13,14,15,20)