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

Systemtic Name: methyl 2-isothiocyanato-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-isothiocyanato-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-isothiocyanato-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-isothiocyanato-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-isothiocyanato-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C14H11NO2S2 MolecularWeight: 289.37264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)N=C=S)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)N=C=S)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C14H11NO2S2/c1-9-11(10-6-4-3-5-7-10)12(14(16)17-2)13(19-9)15-8-18/h3-7H,1-2H3