2-[4-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)carbonyl]-2-nitro-phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)carbonyl]-2-nitro-phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-[4-methyl-2-(1-piperidyl)thiazole-5-carbonyl]-2-nitro-phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-[[4-methyl-2-(1-piperidinyl)-5-thiazolyl]-oxomethyl]-2-nitrophenyl]thio]benzoic acid IUPAC Name: 2-[4-(4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbonyl)-2-nitrophenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(4-methyl-2-piperidino-thiazole-5-carbonyl)-2-nitro-phenyl]thio]benzoic acid Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S2/c1-14-21(33-23(24-14)25-11-5-2-6-12-25)20(27)15-9-10-19(17(13-15)26(30)31)32-18-8-4-3-7-16(18)22(28)29/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,28,29)