[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C18H12IN3O5S MolecularWeight: 509.27445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H12IN3O5S/c19-13-5-1-4-12(7-13)17(24)27-9-16(23)21-18-20-15(10-28-18)11-3-2-6-14(8-11)22(25)26/h1-8,10H,9H2,(H,20,21,23)