(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-nitrobenzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-nitrobenzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-17(12-1-3-13(4-2-12)21(23)24)26-14-5-6-15-16(11-14)27-18(19-15)20-7-9-25-10-8-20/h1-6,11H,7-10H2