[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c1-21(10-17-20-13-5-3-4-6-16(13)29-17)18(23)11-28-19(24)12-7-8-15(27-2)14(9-12)22(25)26/h3-9H,10-11H2,1-2H3