diethyl 2-methyl-6-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[amino(methylimino)methyl]thio]methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[[(N'-methylamidino)thio]methyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)CSC(=NC)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)CSC(=NC)N)C

InChI

InChI=1S/C21H27N3O4S/c1-5-27-19(25)16-13(3)24-15(12-29-21(22)23-4)18(20(26)28-6-2)17(16)14-10-8-7-9-11-14/h7-11,17,24H,5-6,12H2,1-4H3,(H2,22,23)