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

Systemtic Name: [2-nitro-4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl 4-acetamido-3-iodanyl-benzoate Openeye Name: [4-[(5-isopropylthiazol-2-yl)carbamoyl]-2-nitro-phenyl]methyl 4-acetamido-3-iodo-benzoate CAS Name: 4-acetamido-3-iodobenzoic acid [2-nitro-4-[oxo-[(5-propan-2-yl-2-thiazolyl)amino]methyl]phenyl]methyl ester IUPAC Name: [2-nitro-4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl 4-acetamido-3-iodobenzoate Traditional Name: 4-acetamido-3-iodo-benzoic acid [4-[(5-isopropylthiazol-2-yl)carbamoyl]-2-nitro-benzyl] 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=CC(=C(C=C2)COC(=O)C3=CC(=C(C=C3)NC(=O)C)I)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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