3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoic acid Openeye Name: 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[2-[(ethoxycarbonylamino)-sulfanylidenemethyl]-1-pyrrolyl]propanoic acid IUPAC Name: 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[2-(carbethoxythiocarbamoyl)pyrrol-1-yl]propionic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=CC=CN1CCC(=O)O

Isomeric SMILES

CCOC(=O)NC(=S)C1=CC=CN1CCC(=O)O

InChI

InChI=1S/C11H14N2O4S/c1-2-17-11(16)12-10(18)8-4-3-6-13(8)7-5-9(14)15/h3-4,6H,2,5,7H2,1H3,(H,14,15)(H,12,16,18)