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

Systemtic Name: ethyl 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: ethyl 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 3-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C(NS2)CCN3CCN(CC3)C4=CC=CC=C4OC)C1C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C(NS2)CCN3CCN(CC3)C4=CC=CC=C4OC)C1C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H33N5O5S/c1-4-39-29(35)25-19(2)30-28-27(26(25)20-8-7-9-21(18-20)34(36)37)22(31-40-28)12-13-32-14-16-33(17-15-32)23-10-5-6-11-24(23)38-3/h5-11,18,26,31H,4,12-17H2,1-3H3