[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H24N2O4S2/c1-11(2)14-6-4-12(3)8-16(14)25-18(22)10-26-19-20-15-7-5-13(21(23)24)9-17(15)27-19/h5,7,9,11-12,14,16H,4,6,8,10H2,1-3H3/t12-,14-,16+/m0/s1