(2R,3Z)-2-ethoxy-3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one

Systemtic Name: (2R,3Z)-2-ethoxy-3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Openeye Name: (2R,3Z)-2-ethoxy-3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]chroman-4-one CAS Name: (2R,3Z)-2-ethoxy-3-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2R,3Z)-2-ethoxy-3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Traditional Name: (2R,3Z)-2-ethoxy-3-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methylene]chroman-4-one Formula: C25H28N2O3S2 MolecularWeight: 468.63142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C(OC4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/[C@@H](OC4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C25H28N2O3S2/c1-3-5-6-9-14-31-25-27-20-13-12-17(15-22(20)32-25)26-16-19-23(28)18-10-7-8-11-21(18)30-24(19)29-4-2/h7-8,10-13,15-16,24,26H,3-6,9,14H2,1-2H3/b19-16+/t24-/m1/s1