(3E)-2-ethoxy-6,7-dimethyl-3-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one

Systemtic Name: (3E)-2-ethoxy-6,7-dimethyl-3-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Openeye Name: (3E)-2-ethoxy-6,7-dimethyl-3-[[(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methylene]chroman-4-one CAS Name: (3E)-2-ethoxy-6,7-dimethyl-3-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-2-ethoxy-6,7-dimethyl-3-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Traditional Name: (3E)-2-ethoxy-6,7-dimethyl-3-[[(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methylene]chroman-4-one Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=CNC2=CC3=C(C=C2)NC(=S)S3)C(=O)C4=CC(=C(C=C4O1)C)C

Isomeric SMILES

CCOC1/C(=C\NC2=CC3=C(C=C2)NC(=S)S3)/C(=O)C4=CC(=C(C=C4O1)C)C

InChI

InChI=1S/C21H20N2O3S2/c1-4-25-20-15(19(24)14-7-11(2)12(3)8-17(14)26-20)10-22-13-5-6-16-18(9-13)28-21(27)23-16/h5-10,20,22H,4H2,1-3H3,(H,23,27)/b15-10-