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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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