ethyl 3-[2-[4-(4-cyanophenyl)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-(4-cyanophenyl)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-(4-cyanophenyl)piperazin-1-yl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[2-[4-(4-cyanophenyl)-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-(4-cyanophenyl)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-(4-cyanophenyl)piperazino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C29H30N6O4S MolecularWeight: 558.6513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N6O4S/c1-3-39-29(36)25-19(2)31-28-27(26(25)21-5-4-6-23(17-21)35(37)38)24(32-40-28)11-12-33-13-15-34(16-14-33)22-9-7-20(18-30)8-10-22/h4-10,17,26,32H,3,11-16H2,1-2H3