(3E)-1-methyl-3-(phenylmethylidene)-6-(3-phenylprop-1-ynyl)-2,1-benzothiazin-4-one

Systemtic Name: (3E)-1-methyl-3-(phenylmethylidene)-6-(3-phenylprop-1-ynyl)-2,1-benzothiazin-4-one Openeye Name: (3E)-3-benzylidene-1-methyl-6-(3-phenylprop-1-ynyl)-2,1-benzothiazin-4-one CAS Name: (3E)-1-methyl-3-(phenylmethylene)-6-(3-phenylprop-1-ynyl)-2,1-benzothiazin-4-one IUPAC Name: (3E)-3-benzylidene-1-methyl-6-(3-phenylprop-1-ynyl)-2,1-benzothiazin-4-one Traditional Name: (3E)-3-benzal-1-methyl-6-(3-phenylprop-1-ynyl)-2,1-benzothiazin-4-one Formula: C25H19NOS MolecularWeight: 381.48946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)S1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)/C(=C\C4=CC=CC=C4)/S1

InChI

InChI=1S/C25H19NOS/c1-26-23-16-15-21(14-8-13-19-9-4-2-5-10-19)17-22(23)25(27)24(28-26)18-20-11-6-3-7-12-20/h2-7,9-12,15-18H,13H2,1H3/b24-18+