ethyl 3-[2-[4-(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)piperazin-1-yl]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[2-[4-(4-chlorophenyl)-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-chlorophenyl)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-chlorophenyl)piperazino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C28H30ClN5O4S MolecularWeight: 568.0869

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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)Cl)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)Cl)C1C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C28H30ClN5O4S/c1-3-38-28(35)24-18(2)30-27-26(25(24)19-5-4-6-22(17-19)34(36)37)23(31-39-27)11-12-32-13-15-33(16-14-32)21-9-7-20(29)8-10-21/h4-10,17,25,31H,3,11-16H2,1-2H3