ethyl 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoate

Systemtic Name: ethyl 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoate Openeye Name: ethyl 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoate CAS Name: 3-[2-[(ethoxycarbonylamino)-sulfanylidenemethyl]-1-pyrrolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(ethoxycarbonylcarbamothioyl)pyrrol-1-yl]propanoate Traditional Name: 3-[2-(carbethoxythiocarbamoyl)pyrrol-1-yl]propionic acid ethyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=CC=C1C(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)CCN1C=CC=C1C(=S)NC(=O)OCC

InChI

InChI=1S/C13H18N2O4S/c1-3-18-11(16)7-9-15-8-5-6-10(15)12(20)14-13(17)19-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,17,20)