2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(ethoxycarbonylamino)-sulfanylidenemethyl]-1H-pyrrol-2-yl]acetic acid IUPAC Name: 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]acetic acid Traditional Name: 2-[5-(carbethoxythiocarbamoyl)-1H-pyrrol-2-yl]acetic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=CC=C(N1)CC(=O)O

Isomeric SMILES

CCOC(=O)NC(=S)C1=CC=C(N1)CC(=O)O

InChI

InChI=1S/C10H12N2O4S/c1-2-16-10(15)12-9(17)7-4-3-6(11-7)5-8(13)14/h3-4,11H,2,5H2,1H3,(H,13,14)(H,12,15,17)