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

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-[2-(4-phenyl-1-piperidyl)ethyl]-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-3-[2-(4-phenyl-1-piperidinyl)ethyl]-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-[2-(4-phenylpiperidino)ethyl]-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C29H32N4O4S MolecularWeight: 532.65378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C(NS2)CCN3CCC(CC3)C4=CC=CC=C4)C1C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C(NS2)CCN3CCC(CC3)C4=CC=CC=C4)C1C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H32N4O4S/c1-3-37-29(34)25-19(2)30-28-27(26(25)22-10-7-11-23(18-22)33(35)36)24(31-38-28)14-17-32-15-12-21(13-16-32)20-8-5-4-6-9-20/h4-11,18,21,26,31H,3,12-17H2,1-2H3