2-[(E)-2-(2-methylphenyl)ethenyl]-3-propyl-4-sulfanylidene-chromene-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-propyl-4-sulfanylidene-chromene-6-carboxylic acid Openeye Name: 2-[(E)-2-(o-tolyl)vinyl]-3-propyl-4-thioxo-chromene-6-carboxylic acid CAS Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-propyl-4-sulfanylidene-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-3-propyl-4-sulfanylidenechromene-6-carboxylic acid Traditional Name: 2-[(E)-2-(o-tolyl)vinyl]-3-propyl-4-thioxo-chromene-6-carboxylic acid Formula: C22H20O3S MolecularWeight: 364.4574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=S)C=C(C=C2)C(=O)O)C=CC3=CC=CC=C3C

Isomeric SMILES

CCCC1=C(OC2=C(C1=S)C=C(C=C2)C(=O)O)/C=C/C3=CC=CC=C3C

InChI

InChI=1S/C22H20O3S/c1-3-6-17-19(11-9-15-8-5-4-7-14(15)2)25-20-12-10-16(22(23)24)13-18(20)21(17)26/h4-5,7-13H,3,6H2,1-2H3,(H,23,24)/b11-9+