ethyl 4-methanethioyl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-methanethioyl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-methanethioyl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 4-methanethioyl-2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methanethioyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-4-thioformyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C=S)C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C=S)C)C2=CC=CC=C2)C

InChI

InChI=1S/C16H17NO2S/c1-4-19-16(18)15-12(3)17(11(2)14(15)10-20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3