ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CCl

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CCl

InChI

InChI=1S/C17H17ClN2O3S/c1-3-22-17(21)15-13(8-18)23-16(20)12(9-19)14(15)10-4-6-11(24-2)7-5-10/h4-7,14H,3,8,20H2,1-2H3