1,3-benzothiazol-2-ylmethyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S2/c1-11(24-13-8-6-12(7-9-13)19(21)22)17(20)23-10-16-18-14-4-2-3-5-15(14)25-16/h2-9,11H,10H2,1H3/t11-/m1/s1