methyl 5-(diethylcarbamoyl)-2-isothiocyanato-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-isothiocyanato-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-isothiocyanato-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-isothiocyanato-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-isothiocyanato-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)N=C=S)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)N=C=S)C(=O)OC)C

InChI

InChI=1S/C13H16N2O3S2/c1-5-15(6-2)12(16)10-8(3)9(13(17)18-4)11(20-10)14-7-19/h5-6H2,1-4H3