phenethyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: phenethyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: phenethyl 3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid phenethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)SC=C2CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)SC=C2CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-17(2)14-21-16-34-26-25(21)24(20-10-7-11-22(15-20)29(31)32)23(18(3)28-26)27(30)33-13-12-19-8-5-4-6-9-19/h4-11,15-17,24,28H,12-14H2,1-3H3