ethyl 1-cyano-6,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-6,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-6,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-6,8-dimethyl-2-[(4-nitrophenyl)methylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-6,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-3-carboxylate Traditional Name: 1-cyano-6,8-dimethyl-2-[(4-nitrobenzyl)thio]indolizine-3-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-4-28-21(25)19-20(29-12-15-5-7-16(8-6-15)24(26)27)17(10-22)18-14(3)9-13(2)11-23(18)19/h5-9,11H,4,12H2,1-3H3