ethyl 1-cyano-2-[(2-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-[(2-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[(2-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-2-[(2-nitrophenyl)methylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[(2-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate Traditional Name: 1-cyano-2-[(2-nitrobenzyl)thio]indolizine-3-carboxylic acid ethyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-2-26-19(23)17-18(14(11-20)16-9-5-6-10-21(16)17)27-12-13-7-3-4-8-15(13)22(24)25/h3-10H,2,12H2,1H3