S-(1,3-benzothiazol-2-yl) 2-(4-nitrophenoxy)ethanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-(4-nitrophenoxy)ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(4-nitrophenoxy)ethanethioate CAS Name: 2-(4-nitrophenoxy)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(4-nitrophenoxy)ethanethioate Traditional Name: 2-(4-nitrophenoxy)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C15H10N2O4S2 MolecularWeight: 346.3809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S2/c18-14(9-21-11-7-5-10(6-8-11)17(19)20)23-15-16-12-3-1-2-4-13(12)22-15/h1-8H,9H2