ethyl 2-(2-azanylethylselanylmethyl)-6-methyl-4-(3-methylsulfanylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(2-azanylethylselanylmethyl)-6-methyl-4-(3-methylsulfanylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(2-aminoethylselanylmethyl)-6-methyl-4-(3-methylsulfanylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(2-aminoethylseleno)methyl]-6-methyl-4-[3-(methylthio)phenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-aminoethylselanylmethyl)-6-methyl-4-(3-methylsulfanylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(2-aminoethylseleno)methyl]-6-methyl-4-[3-(methylthio)phenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H25N3O4SSe MolecularWeight: 470.4445

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)[N+](=O)[O-])C)C[Se]CCN

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)[N+](=O)[O-])C)C[Se]CCN

InChI

InChI=1S/C19H25N3O4SSe/c1-4-26-19(23)17-15(11-28-9-8-20)21-12(2)18(22(24)25)16(17)13-6-5-7-14(10-13)27-3/h5-7,10,16,21H,4,8-9,11,20H2,1-3H3