ethyl 6-azanyl-4-(5-bromanylthiophen-2-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(5-bromanylthiophen-2-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(5-bromo-2-thienyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(5-bromo-2-thiophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(5-bromo-2-thienyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(S2)Br)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(S2)Br)C(=O)OCC

InChI

InChI=1S/C16H17BrN2O3S/c1-3-5-10-14(16(20)21-4-2)13(9(8-18)15(19)22-10)11-6-7-12(17)23-11/h6-7,13H,3-5,19H2,1-2H3