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

Systemtic Name: (4-nitrophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (4-nitrophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (4-nitrobenzyl) ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S2/c21-17(24-12-13-7-9-14(10-8-13)20(22)23)6-3-11-25-18-19-15-4-1-2-5-16(15)26-18/h1-2,4-5,7-10H,3,6,11-12H2