1,3-benzothiazol-2-ylmethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-26-14-7-6-11(8-13(14)21(24)25)18(23)19-9-17(22)27-10-16-20-12-4-2-3-5-15(12)28-16/h2-8H,9-10H2,1H3,(H,19,23)