ethyl 4-[4-(3-methylphenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-methylphenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(2-methylsulfinylpyrimidin-4-yl)-4-(m-tolyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-(3-methylphenyl)-5-(2-methylsulfinyl-4-pyrimidinyl)-2-thiazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylphenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-methylsulfinylpyrimidin-4-yl)-4-(m-tolyl)thiazol-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)S(=O)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)S(=O)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C23H26N4O3S2/c1-4-30-23(28)27-12-9-16(10-13-27)21-26-19(17-7-5-6-15(2)14-17)20(31-21)18-8-11-24-22(25-18)32(3)29/h5-8,11,14,16H,4,9-10,12-13H2,1-3H3