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

Systemtic Name: (2-nitrophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (2-nitrophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-nitrobenzyl) ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c21-18(24-12-13-6-1-3-8-15(13)20(22)23)11-5-10-17-19-14-7-2-4-9-16(14)25-17/h1-4,6-9H,5,10-12H2