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

Systemtic Name: (phenylmethyl) 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4-methyl-thiazole-5-carboxylic acid benzyl ester Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O3S2/c1-16-8-7-11-20-17(2)14-22(29-23(16)20)33-13-12-21(30)28-26-27-18(3)24(34-26)25(31)32-15-19-9-5-4-6-10-19/h4-11,14H,12-13,15H2,1-3H3,(H,27,28,30)