2-(4-azanylbutylsulfanyl)-2,6-dimethyl-5-(3-nitrophenoxy)carbonyl-3,4-dihydro-1H-pyridine-3-carboxylic acid

Systemtic Name: 2-(4-azanylbutylsulfanyl)-2,6-dimethyl-5-(3-nitrophenoxy)carbonyl-3,4-dihydro-1H-pyridine-3-carboxylic acid Openeye Name: 2-(4-aminobutylsulfanyl)-2,6-dimethyl-5-(3-nitrophenoxy)carbonyl-3,4-dihydro-1H-pyridine-3-carboxylic acid CAS Name: 2-(4-aminobutylthio)-2,6-dimethyl-5-[(3-nitrophenoxy)-oxomethyl]-3,4-dihydro-1H-pyridine-3-carboxylic acid IUPAC Name: 2-(4-aminobutylsulfanyl)-2,6-dimethyl-5-(3-nitrophenoxy)carbonyl-3,4-dihydro-1H-pyridine-3-carboxylic acid Traditional Name: 2-(4-aminobutylthio)-2,6-dimethyl-5-(3-nitrophenoxy)carbonyl-3,4-dihydro-1H-pyridine-3-carboxylic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)(C)SCCCCN)C(=O)O)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(CC(C(N1)(C)SCCCCN)C(=O)O)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6S/c1-12-15(18(25)28-14-7-5-6-13(10-14)22(26)27)11-16(17(23)24)19(2,21-12)29-9-4-3-8-20/h5-7,10,16,21H,3-4,8-9,11,20H2,1-2H3,(H,23,24)