(2E)-3-butyl-2-[(E)-3-(3-butyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-6-methoxy-1,3-benzoxazole

Systemtic Name: (2E)-3-butyl-2-[(E)-3-(3-butyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-6-methoxy-1,3-benzoxazole Openeye Name: (2E)-3-butyl-2-[(E)-3-(3-butyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-6-methoxy-1,3-benzoxazole CAS Name: (2E)-3-butyl-2-[(E)-3-(3-butyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-6-methoxy-1,3-benzoxazole IUPAC Name: (2E)-3-butyl-2-[(E)-3-(3-butyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-6-methoxy-1,3-benzoxazole Traditional Name: (2E)-3-butyl-2-[(E)-3-(3-butyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-6-methoxy-1,3-benzoxazole Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)OC)OC1=CC(=CC3=[N+](C4=C(S3)C=C(C=C4)OC)CCCC)C

Isomeric SMILES

CCCCN\1C2=C(C=C(C=C2)OC)O/C1=C/C(=C/C3=[N+](C4=C(S3)C=C(C=C4)OC)CCCC)/C

InChI

InChI=1S/C28H35N2O3S/c1-6-8-14-29-23-12-10-21(31-4)18-25(23)33-27(29)16-20(3)17-28-30(15-9-7-2)24-13-11-22(32-5)19-26(24)34-28/h10-13,16-19H,6-9,14-15H2,1-5H3/q+1