O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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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)OC)CSCCNC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-4-31-21(27)17-13(2)23-16(11-32-9-8-22-12-25)19(20(26)30-3)18(17)14-6-5-7-15(10-14)24(28)29/h5-7,10,12,16,23H,4,8-9,11H2,1-3H3,(H,22,25)