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

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-(3-phenylmethoxypropyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: ethyl 3-(3-benzyloxypropyl)-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-3-(3-phenylmethoxypropyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-(3-phenylmethoxypropyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 3-(3-benzoxypropyl)-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C(NS2)CCCOCC3=CC=CC=C3)C1C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C(NS2)CCCOCC3=CC=CC=C3)C1C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H27N3O5S/c1-3-34-26(30)22-17(2)27-25-24(23(22)19-11-7-12-20(15-19)29(31)32)21(28-35-25)13-8-14-33-16-18-9-5-4-6-10-18/h4-7,9-12,15,23,28H,3,8,13-14,16H2,1-2H3