ethyl 1-cyano-7-methyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-7-methyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-7-methyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-7-methyl-2-[(4-nitrophenyl)methylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-7-methyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate Traditional Name: 1-cyano-7-methyl-2-[(4-nitrobenzyl)thio]indolizine-3-carboxylic acid ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-3-27-20(24)18-19(16(11-21)17-10-13(2)8-9-22(17)18)28-12-14-4-6-15(7-5-14)23(25)26/h4-10H,3,12H2,1-2H3