(phenylmethyl) 4-methyl-2-[2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(4,6,8-trimethyl-2-oxo-1-quinolyl)butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(4,6,8-trimethyl-2-oxo-1-quinolinyl)butyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(2-keto-4,6,8-trimethyl-1-quinolyl)butanoylamino]-4-methyl-thiazole-5-carboxylic acid benzyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)N3C(=O)C=C(C4=CC(=CC(=C43)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)N3C(=O)C=C(C4=CC(=CC(=C43)C)C)C

InChI

InChI=1S/C28H29N3O4S/c1-6-22(31-23(32)14-17(3)21-13-16(2)12-18(4)24(21)31)26(33)30-28-29-19(5)25(36-28)27(34)35-15-20-10-8-7-9-11-20/h7-14,22H,6,15H2,1-5H3,(H,29,30,33)