O3-ethyl O5-methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[[[methylamino(methylimino)methyl]thio]methyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(N,N'-dimethylamidino)thio]methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl 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)OC)C)CSC(=NC)NC

Isomeric SMILES

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

InChI

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