ethyl 3-azanyl-4-cyano-5-methylsulfanyl-1-phenyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-cyano-5-methylsulfanyl-1-phenyl-pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-4-cyano-5-methylsulfanyl-1-phenyl-pyrrole-2-carboxylate CAS Name: 3-amino-4-cyano-5-(methylthio)-1-phenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-cyano-5-methylsulfanyl-1-phenylpyrrole-2-carboxylate Traditional Name: 3-amino-4-cyano-5-(methylthio)-1-phenyl-pyrrole-2-carboxylic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)SC)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)SC)C#N)N

InChI

InChI=1S/C15H15N3O2S/c1-3-20-15(19)13-12(17)11(9-16)14(21-2)18(13)10-7-5-4-6-8-10/h4-8H,3,17H2,1-2H3