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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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