butyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C25H28N2O3S/c1-5-6-11-30-25(29)19-7-9-20(10-8-19)26-22(28)15-31-23-14-17(3)21-13-16(2)12-18(4)24(21)27-23/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,26,28)