(2-nitrophenyl)methyl 4-acetamido-3-iodanyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-acetamido-3-iodanyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate Openeye Name: (2-nitrophenyl)methyl 4-acetamido-3-iodo-2-[(5-isopropylthiazol-2-yl)carbamoyl]benzoate CAS Name: 4-acetamido-3-iodo-2-[oxo-[(5-propan-2-yl-2-thiazolyl)amino]methyl]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-acetamido-3-iodo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-acetamido-3-iodo-2-[(5-isopropylthiazol-2-yl)carbamoyl]benzoic acid (2-nitrobenzyl) ester Formula: C23H21IN4O6S MolecularWeight: 608.40551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(S1)NC(=O)C2=C(C=CC(=C2I)NC(=O)C)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CN=C(S1)NC(=O)C2=C(C=CC(=C2I)NC(=O)C)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H21IN4O6S/c1-12(2)18-10-25-23(35-18)27-21(30)19-15(8-9-16(20(19)24)26-13(3)29)22(31)34-11-14-6-4-5-7-17(14)28(32)33/h4-10,12H,11H2,1-3H3,(H,26,29)(H,25,27,30)