ethyl 2-[[5-[(3-iodanylphenyl)carbonylamino]-2-methyl-phenyl]amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[5-[(3-iodanylphenyl)carbonylamino]-2-methyl-phenyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[5-[(3-iodobenzoyl)amino]-2-methyl-anilino]thiazole-4-carboxylate CAS Name: 2-[5-[[(3-iodophenyl)-oxomethyl]amino]-2-methylanilino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-[(3-iodobenzoyl)amino]-2-methylanilino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-[(3-iodobenzoyl)amino]-2-methyl-anilino]thiazole-4-carboxylic acid ethyl ester Formula: C20H18IN3O3S MolecularWeight: 507.34469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)I)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)I)C

InChI

InChI=1S/C20H18IN3O3S/c1-3-27-19(26)17-11-28-20(24-17)23-16-10-15(8-7-12(16)2)22-18(25)13-5-4-6-14(21)9-13/h4-11H,3H2,1-2H3,(H,22,25)(H,23,24)