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

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-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] 3-phenoxypropanoate Traditional Name: 3-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:

C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c22-16(11-27-17(23)8-9-26-13-4-2-1-3-5-13)20-18-19-14-7-6-12(21(24)25)10-15(14)28-18/h1-7,10H,8-9,11H2,(H,19,20,22)