[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)COCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)COCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S/c1-12-6-7-13(8-15(12)21(24)25)16(22)9-27-19(23)11-26-10-18-20-14-4-2-3-5-17(14)28-18/h2-8H,9-11H2,1H3