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

Systemtic Name: methyl 2-isothiocyanato-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-isothiocyanato-5-phenyl-thiophene-3-carboxylate CAS Name: 2-isothiocyanato-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate Traditional Name: 2-isothiocyanato-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C13H9NO2S2 MolecularWeight: 275.34606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N=C=S

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N=C=S

InChI

InChI=1S/C13H9NO2S2/c1-16-13(15)10-7-11(18-12(10)14-8-17)9-5-3-2-4-6-9/h2-7H,1H3