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

Systemtic Name: O5-methyl O3-prop-2-enyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-allyl O5-methyl 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-methyl ester O3-prop-2-enyl ester IUPAC Name: 5-O-methyl 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-methyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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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

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

InChI

InChI=1S/C20H22N4O6S/c1-4-8-30-19(26)17-14(10-31-20(21)22)23-11(2)15(18(25)29-3)16(17)12-6-5-7-13(9-12)24(27)28/h4-7,9,16,23H,1,8,10H2,2-3H3,(H3,21,22)