(4-nitrophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (4-nitrophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (4-nitrophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (4-nitrobenzyl) ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c22-19(25-13-14-9-11-15(12-10-14)21(23)24)8-4-3-7-18-20-16-5-1-2-6-17(16)26-18/h1-2,5-6,9-12H,3-4,7-8,13H2