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

Systemtic Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-iodanylbenzoate Openeye Name: [2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-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] 2-iodobenzoate Traditional Name: 2-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=C(C(=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])I

InChI

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