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

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(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)SC(C)C(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S2/c1-15-11-17(3)23-21(12-15)16(2)13-22(29-23)34-19(5)25(31)30-27-28-18(4)24(35-27)26(32)33-14-20-9-7-6-8-10-20/h6-13,19H,14H2,1-5H3,(H,28,30,31)