dimethyl 6-azanyl-5-cyano-4-(3,4-dichlorophenyl)-4H-thiopyran-2,3-dicarboxylate

Systemtic Name: dimethyl 6-azanyl-5-cyano-4-(3,4-dichlorophenyl)-4H-thiopyran-2,3-dicarboxylate Openeye Name: dimethyl 6-amino-5-cyano-4-(3,4-dichlorophenyl)-4H-thiopyran-2,3-dicarboxylate CAS Name: 6-amino-5-cyano-4-(3,4-dichlorophenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-amino-5-cyano-4-(3,4-dichlorophenyl)-4H-thiopyran-2,3-dicarboxylate Traditional Name: 6-amino-5-cyano-4-(3,4-dichlorophenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C1C2=CC(=C(C=C2)Cl)Cl)C#N)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C1C2=CC(=C(C=C2)Cl)Cl)C#N)N)C(=O)OC

InChI

InChI=1S/C16H12Cl2N2O4S/c1-23-15(21)12-11(7-3-4-9(17)10(18)5-7)8(6-19)14(20)25-13(12)16(22)24-2/h3-5,11H,20H2,1-2H3