[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C23H22N2O3S2/c1-16(22(26)25-12-6-8-17-7-2-4-10-20(17)25)28-23(27)19-9-3-5-11-21(19)30-14-18-13-29-15-24-18/h2-5,7,9-11,13,15-16H,6,8,12,14H2,1H3