ethyl 3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(4,5-dihydrothiazol-2-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-(2-thiazolin-2-ylcarbamoyl)benzoic acid ethyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NCCS2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NCCS2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-2-21-12(18)9-5-8(6-10(7-9)16(19)20)11(17)15-13-14-3-4-22-13/h5-7H,2-4H2,1H3,(H,14,15,17)