(3-nitrophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (3-nitrophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-nitrophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-nitrobenzyl) ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S/c20-17(23-11-12-4-3-5-13(10-12)19(21)22)9-8-16-18-14-6-1-2-7-15(14)24-16/h1-7,10H,8-9,11H2