diethyl (4S)-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2-[(carbamimidoylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2-[(amidinothio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=N)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=N)N)C

InChI

InChI=1S/C20H24N4O6S/c1-4-29-18(25)15-11(3)23-14(10-31-20(21)22)17(19(26)30-5-2)16(15)12-7-6-8-13(9-12)24(27)28/h6-9,16,23H,4-5,10H2,1-3H3,(H3,21,22)/t16-/m0/s1