methyl 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S2/c1-12-11-31-20(21-12)32-16-4-3-14(9-15(16)23(27)28)19(26)30-10-17(24)22-7-5-13(6-8-22)18(25)29-2/h3-4,9,11,13H,5-8,10H2,1-2H3