[(2R)-4-(1,3-benzothiazol-2-yl)butan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2R)-4-(1,3-benzothiazol-2-yl)butan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1R)-3-(1,3-benzothiazol-2-yl)-1-methyl-propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2R)-4-(1,3-benzothiazol-2-yl)butan-2-yl] ester IUPAC Name: [(2R)-4-(1,3-benzothiazol-2-yl)butan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R)-3-(1,3-benzothiazol-2-yl)-1-methyl-propyl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NC2=CC=CC=C2S1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=NC2=CC=CC=C2S1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-11(6-7-17-19-15-4-2-3-5-16(15)28-17)27-18(22)12-8-13(20(23)24)10-14(9-12)21(25)26/h2-5,8-11H,6-7H2,1H3/t11-/m1/s1