2-methyl-5-[[[3-(4-nitrophenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one

Systemtic Name: 2-methyl-5-[[[3-(4-nitrophenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[2-hydroxy-3-(4-nitrophenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[2-hydroxy-3-(4-nitrophenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[2-hydroxy-3-(4-nitrophenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[2-hydroxy-3-(4-nitrophenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-12-10-16-19(29-12)9-2-13(20(16)24)11-22-17-7-8-18(21(17)25)28-15-5-3-14(4-6-15)23(26)27/h3-6,10,13,17-18,21-22,25H,2,7-9,11H2,1H3