(phenylmethyl) 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C28H29N3O3S2/c1-6-22(35-23-14-17(3)21-13-16(2)12-18(4)24(21)30-23)26(32)31-28-29-19(5)25(36-28)27(33)34-15-20-10-8-7-9-11-20/h7-14,22H,6,15H2,1-5H3,(H,29,31,32)