ethyl 2-imidazol-1-ylcarbothioylsulfanylpropanoate

Systemtic Name: ethyl 2-imidazol-1-ylcarbothioylsulfanylpropanoate Openeye Name: ethyl 2-(imidazole-1-carbothioylsulfanyl)propanoate CAS Name: 2-[[1-imidazolyl(sulfanylidene)methyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(imidazole-1-carbothioylsulfanyl)propanoate Traditional Name: 2-(imidazole-1-carbothioylthio)propionic acid ethyl ester Formula: C9H12N2O2S2 MolecularWeight: 244.33378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC(=S)N1C=CN=C1

Isomeric SMILES

CCOC(=O)C(C)SC(=S)N1C=CN=C1

InChI

InChI=1S/C9H12N2O2S2/c1-3-13-8(12)7(2)15-9(14)11-5-4-10-6-11/h4-7H,3H2,1-2H3