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

Systemtic Name: propan-2-yl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C)C

InChI

InChI=1S/C24H26N2O3S/c1-14(2)29-24(28)18-6-8-19(9-7-18)25-21(27)13-30-22-12-16(4)20-11-15(3)10-17(5)23(20)26-22/h6-12,14H,13H2,1-5H3,(H,25,27)