1-methyl-2-oxidanyl-3-(2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-(2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-(2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3H-quinolin-1-ium-4-one Formula: C23H19N2O2S2+ MolecularWeight: 419.53916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC4=CC=CC=C4SC(C3)C5=CC=CS5)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC4=CC=CC=C4SC(C3)C5=CC=CS5)O

InChI

InChI=1S/C23H18N2O2S2/c1-25-17-9-4-2-7-14(17)22(26)21(23(25)27)16-13-20(19-11-6-12-28-19)29-18-10-5-3-8-15(18)24-16/h2-12,20-21H,13H2,1H3/p+1