ethyl 1-[[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[[(2-fluorophenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[(2-fluorobenzyl)thio]methyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carbonyl]nipecotic acid ethyl ester Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=CC=C4F

InChI

InChI=1S/C25H28FN3O4S/c1-2-33-25(32)17-7-5-11-29(13-17)24(31)16-9-10-20-21(12-16)28-23(30)22(27-20)15-34-14-18-6-3-4-8-19(18)26/h3-4,6,8-10,12,17,22,27H,2,5,7,11,13-15H2,1H3,(H,28,30)