ethyl 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-isothiocyanato-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)N=C=S)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)N=C=S)C

InChI

InChI=1S/C11H13NO2S2/c1-4-8-7(3)16-10(12-6-15)9(8)11(13)14-5-2/h4-5H2,1-3H3