[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic 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] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C28H31NO4S/c1-19(27(30)29-17-9-11-20-10-5-7-15-24(20)29)32-28(31)26-23(18-34-21-12-3-2-4-13-21)22-14-6-8-16-25(22)33-26/h5-8,10,14-16,19,21H,2-4,9,11-13,17-18H2,1H3