[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O5S/c1-8-9(2)23-14(15-8)16-12(18)7-22-13(19)10-3-5-11(6-4-10)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,18)