2-methyl-3-phenyl-9-(2-thiophen-2-ylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one

Systemtic Name: 2-methyl-3-phenyl-9-(2-thiophen-2-ylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 2-methyl-3-phenyl-9-[2-(2-thienyl)ethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 2-methyl-3-phenyl-9-(2-thiophen-2-ylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 2-methyl-3-phenyl-9-(2-thiophen-2-ylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 2-methyl-3-phenyl-9-[2-(2-thienyl)ethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C24H22NO3S+ MolecularWeight: 404.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)CCC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)CCC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H21NO3S/c1-16-22(17-6-3-2-4-7-17)23(26)19-9-10-21-20(24(19)28-16)14-25(15-27-21)12-11-18-8-5-13-29-18/h2-10,13H,11-12,14-15H2,1H3/p+1