ethyl 3-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[1,3-benzothiazol-2-yl(ethyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-3-21(19-20-15-7-5-6-8-16(15)28-19)17(23)12-9-13(18(24)27-4-2)11-14(10-12)22(25)26/h5-11H,3-4H2,1-2H3