diethyl 2-(4-azanylsulfanylcarbonylphenyl)-2,6-dimethyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(4-azanylsulfanylcarbonylphenyl)-2,6-dimethyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(4-aminosulfanylcarbonylphenyl)-2,6-dimethyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 2-[4-[(aminothio)-oxomethyl]phenyl]-2,6-dimethyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(4-aminosulfanylcarbonylphenyl)-2,6-dimethyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-[4-(aminothio)carbonylphenyl]-2,6-dimethyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=C(NC1(C)C2=CC=C(C=C2)C(=O)SN)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC(=C(NC1(C)C2=CC=C(C=C2)C(=O)SN)C)C(=O)OCC

InChI

InChI=1S/C20H26N2O5S/c1-5-26-17(23)15-11-16(18(24)27-6-2)20(4,22-12(15)3)14-9-7-13(8-10-14)19(25)28-21/h7-10,16,22H,5-6,11,21H2,1-4H3