O5-tert-butyl O3-prop-2-enyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-tert-butyl O3-prop-2-enyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-allyl O5-tert-butyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-tert-butyl ester O3-prop-2-enyl ester IUPAC Name: 5-O-tert-butyl 3-O-prop-2-enyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(amidinothio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-allyl ester O5-tert-butyl ester Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC(=N)N)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC(=N)N)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N4O6S/c1-6-10-32-20(28)19-16(12-34-22(24)25)26-13(2)17(21(29)33-23(3,4)5)18(19)14-8-7-9-15(11-14)27(30)31/h6-9,11,18,26H,1,10,12H2,2-5H3,(H3,24,25)