2-[methyl-(phenylmethyl)amino]ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: 2-[benzyl(methyl)amino]ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 3-[[4-(4-fluorophenyl)piperazino]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C35H37FN6O4S MolecularWeight: 656.769483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NSC2=N1)CN3CCN(CC3)C4=CC=C(C=C4)F)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OCCN(C)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2=C(NSC2=N1)CN3CCN(CC3)C4=CC=C(C=C4)F)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OCCN(C)CC6=CC=CC=C6

InChI

InChI=1S/C35H37FN6O4S/c1-24-31(35(43)46-20-19-39(2)22-25-7-4-3-5-8-25)32(26-9-6-10-29(21-26)42(44)45)33-30(38-47-34(33)37-24)23-40-15-17-41(18-16-40)28-13-11-27(36)12-14-28/h3-14,21,32,38H,15-20,22-23H2,1-2H3