S-(1,3-benzothiazol-2-yl) 2-(2-nitrophenoxy)propanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-(2-nitrophenoxy)propanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(2-nitrophenoxy)propanethioate CAS Name: 2-(2-nitrophenoxy)propanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(2-nitrophenoxy)propanethioate Traditional Name: 2-(2-nitrophenoxy)propanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)SC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c1-10(22-13-8-4-3-7-12(13)18(20)21)15(19)24-16-17-11-6-2-5-9-14(11)23-16/h2-10H,1H3