2-(7-ethyl-4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)ethanoate

Systemtic Name: 2-(7-ethyl-4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)ethanoate Openeye Name: 2-(7-ethyl-4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetate CAS Name: 2-(7-ethyl-4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetate IUPAC Name: 2-(7-ethyl-4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-(7-ethyl-4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetate Formula: C13H13N2O4S- MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1C)[N+](=O)[O-])C)C(=NS2)CC(=O)[O-]

Isomeric SMILES

CCC1=C2C(=C(C(=C1C)[N+](=O)[O-])C)C(=NS2)CC(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-4-8-6(2)12(15(18)19)7(3)11-9(5-10(16)17)14-20-13(8)11/h4-5H2,1-3H3,(H,16,17)/p-1