diethyl 2-[(4-aminophenyl)carbonyloxy-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(4-aminophenyl)carbonyloxy-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(4-aminobenzoyl)oxy-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(4-aminophenyl)-oxomethoxy]-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-aminobenzoyl)oxy-methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(4-aminobenzoyl)oxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H29N3O8S MolecularWeight: 555.59946

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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)OCC)C(OC(=O)C3=CC=C(C=C3)N)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O8S/c1-5-36-25(32)20-15(3)29-23(27(39-4)38-24(31)16-10-12-18(28)13-11-16)22(26(33)37-6-2)21(20)17-8-7-9-19(14-17)30(34)35/h7-14,21,27,29H,5-6,28H2,1-4H3