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

Systemtic Name: O3-ethyl O5-methyl 2-(2-azanylethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-aminoethylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-aminoethylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-4-26-20(24)18-15(12-27-11-10-21)22-13(2)16(19(23)25-3)17(18)14-8-6-5-7-9-14/h5-9,17,22H,4,10-12,21H2,1-3H3