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

Systemtic Name: (phenylmethyl) 2-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 2-[3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoylamino]-4-methyl-thiazole-5-carboxylic acid benzyl ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S2/c1-16-14-22(29-23-19(16)10-7-11-20(23)32-3)34-13-12-21(30)28-26-27-17(2)24(35-26)25(31)33-15-18-8-5-4-6-9-18/h4-11,14H,12-13,15H2,1-3H3,(H,27,28,30)