O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-28-21(26)17-14(2)23-16(12-29-11-10-22-13-24)19(20(25)27-3)18(17)15-8-6-5-7-9-15/h5-9,13,18,23H,4,10-12H2,1-3H3,(H,22,24)