ethyl 6-azanyl-4-(5-butylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(5-butylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(5-butyl-2-thienyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(5-butyl-2-thiophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(5-butylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(5-butyl-2-thienyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N

InChI

InChI=1S/C18H22N2O3S/c1-4-6-7-12-8-9-14(24-12)16-13(10-19)17(20)23-11(3)15(16)18(21)22-5-2/h8-9,16H,4-7,20H2,1-3H3