ethyl 2-isothiocyanato-5-propyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)N=C=S)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=C(S1)N=C=S)C(=O)OCC

InChI

InChI=1S/C11H13NO2S2/c1-3-5-8-6-9(11(13)14-4-2)10(16-8)12-7-15/h6H,3-5H2,1-2H3