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

Systemtic Name: ethyl 2-isothiocyanato-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-isothiocyanato-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-isothiocyanato-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-isothiocyanato-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H13NO2S2 MolecularWeight: 303.39922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)N=C=S

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)N=C=S

InChI

InChI=1S/C15H13NO2S2/c1-3-18-15(17)13-12(11-7-5-4-6-8-11)10(2)20-14(13)16-9-19/h4-8H,3H2,1-2H3