[1-(1,3-benzothiazol-2-yl)-2-[ethyl-(3-nitrophenyl)amino]ethyl] 2-sulfanylideneethanoate

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-2-[ethyl-(3-nitrophenyl)amino]ethyl] 2-sulfanylideneethanoate Openeye Name: [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-nitro-anilino)ethyl] 2-thioxoacetate CAS Name: 2-sulfanylideneacetic acid [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-nitroanilino)ethyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-nitroanilino)ethyl] 2-sulfanylideneacetate Traditional Name: 2-thioxoacetic acid [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-nitro-anilino)ethyl] ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C1=NC2=CC=CC=C2S1)OC(=O)C=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(C1=NC2=CC=CC=C2S1)OC(=O)C=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S2/c1-2-21(13-6-5-7-14(10-13)22(24)25)11-16(26-18(23)12-27)19-20-15-8-3-4-9-17(15)28-19/h3-10,12,16H,2,11H2,1H3