(4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-nitrobenzyl) ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c19-15(22-9-11-5-7-12(8-6-11)18(20)21)10-23-16-17-13-3-1-2-4-14(13)24-16/h1-8H,9-10H2