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

Systemtic Name: dimethyl 6-azanyl-5-cyano-4-(3,4-dimethoxyphenyl)-4H-thiopyran-2,3-dicarboxylate Openeye Name: dimethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-4H-thiopyran-2,3-dicarboxylate CAS Name: 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-4H-thiopyran-2,3-dicarboxylate Traditional Name: 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(SC(=C2C(=O)OC)C(=O)OC)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(SC(=C2C(=O)OC)C(=O)OC)N)C#N)OC

InChI

InChI=1S/C18H18N2O6S/c1-23-11-6-5-9(7-12(11)24-2)13-10(8-19)16(20)27-15(18(22)26-4)14(13)17(21)25-3/h5-7,13H,20H2,1-4H3