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

Systemtic Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7S/c1-4-31-19(26)17-11-21(20(27)30-3,15-5-7-16(8-6-15)24(28)29)18(23-14(17)2)12-32-10-9-22-13-25/h5-8,13,18,23H,4,9-12H2,1-3H3,(H,22,25)