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

Systemtic Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(phenacylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(phenacylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(phenacylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-4-(3-nitrophenyl)-6-(phenacylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(phenacylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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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)C)CSCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O7S/c1-4-35-26(31)24-20(14-36-15-21(29)17-9-6-5-7-10-17)27-16(2)22(25(30)34-3)23(24)18-11-8-12-19(13-18)28(32)33/h5-13,23,27H,4,14-15H2,1-3H3