O3-(3-nitrophenyl) O5-[4-(3-phenoxypropylamino)butylsulfanyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(3-nitrophenyl) O5-[4-(3-phenoxypropylamino)butylsulfanyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(3-nitrophenyl) O5-[4-(3-phenoxypropylamino)butylsulfanyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(3-nitrophenyl) ester O5-[4-(3-phenoxypropylamino)butylthio] ester IUPAC Name: 3-O-(3-nitrophenyl) 5-O-[4-(3-phenoxypropylamino)butylsulfanyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(3-nitrophenyl) ester O5-[4-(3-phenoxypropylamino)butylthio] ester Formula: C28H33N3O7S MolecularWeight: 555.64252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1)C)C(=O)OSCCCCNCCCOC2=CC=CC=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(CC(=C(N1)C)C(=O)OSCCCCNCCCOC2=CC=CC=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H33N3O7S/c1-20-25(27(32)37-24-13-8-10-22(18-24)31(34)35)19-26(21(2)30-20)28(33)38-39-17-7-6-14-29-15-9-16-36-23-11-4-3-5-12-23/h3-5,8,10-13,18,29-30H,6-7,9,14-17,19H2,1-2H3