4-propyl-2-[(E)-2-(4-sulfanylidenechromen-2-yl)ethenyl]benzoic acid ethanoate

Systemtic Name: 4-propyl-2-[(E)-2-(4-sulfanylidenechromen-2-yl)ethenyl]benzoic acid ethanoate Openeye Name: 4-propyl-2-[(E)-2-(4-thioxochromen-2-yl)vinyl]benzoic acid acetate CAS Name: 4-propyl-2-[(E)-2-(4-sulfanylidene-1-benzopyran-2-yl)ethenyl]benzoic acid acetate IUPAC Name: 4-propyl-2-[(E)-2-(4-sulfanylidenechromen-2-yl)ethenyl]benzoic acid acetate Traditional Name: 4-propyl-2-[(E)-2-(4-thioxochromen-2-yl)vinyl]benzoic acid acetate Formula: C23H21O5S- MolecularWeight: 409.47484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C(=O)O)C=CC2=CC(=S)C3=CC=CC=C3O2.CC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)C(=O)O)/C=C/C2=CC(=S)C3=CC=CC=C3O2.CC(=O)[O-]

InChI

InChI=1S/C21H18O3S.C2H4O2/c1-2-5-14-8-11-17(21(22)23)15(12-14)9-10-16-13-20(25)18-6-3-4-7-19(18)24-16;1-2(3)4/h3-4,6-13H,2,5H2,1H3,(H,22,23);1H3,(H,3,4)/p-1/b10-9+;