propan-2-yl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetic acid isopropyl ester Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4S2/c1-7(2)18-11(15)6-19-12-13-9-4-3-8(14(16)17)5-10(9)20-12/h3-5,7H,6H2,1-2H3