methyl 3-nitro-5-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-[1-[(2-keto-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C25H23N5O6S MolecularWeight: 521.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O6S/c1-36-24(32)18-12-17(13-19(14-18)30(34)35)23(31)27-9-6-16(7-10-27)22-26-8-11-28(22)15-29-20-4-2-3-5-21(20)37-25(29)33/h2-5,8,11-14,16H,6-7,9-10,15H2,1H3