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

Systemtic Name: methyl 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-isothiocyanato-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C10H11NO2S2 MolecularWeight: 241.32984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO2S2/c1-4-7-6(2)15-9(11-5-14)8(7)10(12)13-3/h4H2,1-3H3