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

Systemtic Name: (2R,3E)-2-ethoxy-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Openeye Name: (2R,3E)-2-ethoxy-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]chroman-4-one CAS Name: (2R,3E)-2-ethoxy-3-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2R,3E)-2-ethoxy-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Traditional Name: (2R,3E)-2-ethoxy-3-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methylene]chroman-4-one Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=CNC2=CC3=C(C=C2)N=C(S3)SC)C(=O)C4=CC=CC=C4O1

Isomeric SMILES

CCO[C@H]1/C(=C\NC2=CC3=C(C=C2)N=C(S3)SC)/C(=O)C4=CC=CC=C4O1

InChI

InChI=1S/C20H18N2O3S2/c1-3-24-19-14(18(23)13-6-4-5-7-16(13)25-19)11-21-12-8-9-15-17(10-12)27-20(22-15)26-2/h4-11,19,21H,3H2,1-2H3/b14-11-/t19-/m1/s1