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

Systemtic Name: ethyl 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: ethyl 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]propyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazino]propyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C36H37F2N5O4S MolecularWeight: 673.771886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C(NS2)CCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C1C6=CC(=CC=C6)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C(NS2)CCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C1C6=CC(=CC=C6)[N+](=O)[O-])C

InChI

InChI=1S/C36H37F2N5O4S/c1-3-47-36(44)31-23(2)39-35-33(32(31)26-6-4-7-29(22-26)43(45)46)30(40-48-35)8-5-17-41-18-20-42(21-19-41)34(24-9-13-27(37)14-10-24)25-11-15-28(38)16-12-25/h4,6-7,9-16,22,32,34,40H,3,5,8,17-21H2,1-2H3