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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c1-2-25-16(22)11-7-10(8-12(9-11)20(23)24)15(21)19-17-18-13-5-3-4-6-14(13)26-17/h3-9H,2H2,1H3,(H,18,19,21)