butyl 3-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 3-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[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(=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

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

InChI

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