methyl 4-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C3=NC=CN3C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C3=NC=CN3C

InChI

InChI=1S/C17H16N4O3S/c1-10-13(14-18-8-9-21(14)2)25-17(19-10)20-15(22)11-4-6-12(7-5-11)16(23)24-3/h4-9H,1-3H3,(H,19,20,22)