ethyl 6-methyl-4-(3-nitrophenyl)-3-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: ethyl 3-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 3-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C(NS2)CCNCC(COC3=CC=CC=C3)O)C1C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C(NS2)CCNCC(COC3=CC=CC=C3)O)C1C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H30N4O6S/c1-3-36-27(33)23-17(2)29-26-25(24(23)18-8-7-9-19(14-18)31(34)35)22(30-38-26)12-13-28-15-20(32)16-37-21-10-5-4-6-11-21/h4-11,14,20,24,28,30,32H,3,12-13,15-16H2,1-2H3