[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenoxypropanoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenoxypropanoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

InChI

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