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

Systemtic Name: (phenylmethyl) 4-methyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C)C)C

InChI

InChI=1S/C27H27N3O3S2/c1-16-12-18(3)24-21(13-16)17(2)14-23(30-24)34-11-10-22(31)29-27-28-19(4)25(35-27)26(32)33-15-20-8-6-5-7-9-20/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29,31)