[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)propanoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-(4-chlorophenoxy)propanoate CAS Name: 2-(4-chlorophenoxy)propanoic 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-(4-chlorophenoxy)propanoate Traditional Name: 2-(4-chlorophenoxy)propionic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C18H14ClN3O6S MolecularWeight: 435.83826

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O6S/c1-10(28-13-5-2-11(19)3-6-13)17(24)27-9-16(23)21-18-20-14-7-4-12(22(25)26)8-15(14)29-18/h2-8,10H,9H2,1H3,(H,20,21,23)