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

Systemtic Name: (4-nitrophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (4-nitrophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (4-nitrobenzyl) ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S2/c20-16(23-11-12-5-7-13(8-6-12)19(21)22)9-10-24-17-18-14-3-1-2-4-15(14)25-17/h1-8H,9-11H2