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

Systemtic Name: diethyl 3-(4-azanylsulfanylcarbonylphenyl)-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 3-(4-aminosulfanylcarbonylphenyl)-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 3-[4-[(aminothio)-oxomethyl]phenyl]-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(4-aminosulfanylcarbonylphenyl)-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 3-[4-(aminothio)carbonylphenyl]-2,6-dimethyl-2,4-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)C1=C(NC(C(C1)(C2=CC=C(C=C2)C(=O)SN)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(C(C1)(C2=CC=C(C=C2)C(=O)SN)C(=O)OCC)C)C

InChI

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