5-[[6-(1-benzothiophen-2-yl)hexylamino]-phenylazanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[6-(1-benzothiophen-2-yl)hexylamino]-phenylazanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[anilino-[6-(benzothiophen-2-yl)hexylamino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[anilino-[6-(1-benzothiophen-2-yl)hexylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[anilino-[6-(1-benzothiophen-2-yl)hexylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[anilino-[6-(benzothiophen-2-yl)hexylamino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NCCCCCCC2=CC3=CC=CC=C3S2)NC4=CC=CC=C4)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NCCCCCCC2=CC3=CC=CC=C3S2)NC4=CC=CC=C4)C(=O)O1)C

InChI

InChI=1S/C27H30N2O4S/c1-27(2)32-25(30)23(26(31)33-27)24(29-20-13-6-5-7-14-20)28-17-11-4-3-8-15-21-18-19-12-9-10-16-22(19)34-21/h5-7,9-10,12-14,16,18,28-29H,3-4,8,11,15,17H2,1-2H3