diethyl 2-(2-azanylethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methanoyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(2-azanylethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methanoyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(2-aminoethylsulfanylmethyl)-4-(3-chlorophenyl)-6-formyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-aminoethylthio)methyl]-4-(3-chlorophenyl)-6-formyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-aminoethylsulfanylmethyl)-4-(3-chlorophenyl)-6-formyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-aminoethylthio)methyl]-4-(3-chlorophenyl)-6-formyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-3-28-20(26)18-15(11-25)24-16(12-30-9-8-23)19(21(27)29-4-2)17(18)13-6-5-7-14(22)10-13/h5-7,10-11,17,24H,3-4,8-9,12,23H2,1-2H3