ethyl 3-[2-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[2-[4-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C30H35N5O4S MolecularWeight: 561.695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C(NS2)CCN3CCN(CC3)C4=CC=CC(=C4C)C)C1C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C(NS2)CCN3CCN(CC3)C4=CC=CC(=C4C)C)C1C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C30H35N5O4S/c1-5-39-30(36)26-21(4)31-29-28(27(26)22-9-7-10-23(18-22)35(37)38)24(32-40-29)12-13-33-14-16-34(17-15-33)25-11-6-8-19(2)20(25)3/h6-11,18,27,32H,5,12-17H2,1-4H3