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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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