ethyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-2-26-18(23)12-7-11(8-13(9-12)21(24)25)17(22)19-10-16-20-14-5-3-4-6-15(14)27-16/h3-9H,2,10H2,1H3,(H,19,22)