ethyl 6-azanyl-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-thiopyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-thiopyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-thiopyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-thiopyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-thiopyran-3-carboxylic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-2-28-21(25)18-17(14-9-6-10-15(11-14)24(26)27)16(12-22)20(23)29-19(18)13-7-4-3-5-8-13/h3-11,17H,2,23H2,1H3