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

Systemtic Name: methyl 4-[[4-(3-methylphenyl)-5-pyrimidin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(m-tolyl)-5-pyrimidin-4-yl-thiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[4-(3-methylphenyl)-5-(4-pyrimidinyl)-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylphenyl)-5-pyrimidin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-(m-tolyl)-5-(4-pyrimidyl)thiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C4=NC=NC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C4=NC=NC=C4

InChI

InChI=1S/C23H18N4O3S/c1-14-4-3-5-17(12-14)19-20(18-10-11-24-13-25-18)31-23(26-19)27-21(28)15-6-8-16(9-7-15)22(29)30-2/h3-13H,1-2H3,(H,26,27,28)