2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-propyl-4-sulfanylidene-chromene-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-propyl-4-sulfanylidene-chromene-6-carboxylic acid Openeye Name: 2-[(E)-2-(2,5-dimethylphenyl)vinyl]-3-propyl-4-thioxo-chromene-6-carboxylic acid CAS Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-propyl-4-sulfanylidene-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-propyl-4-sulfanylidenechromene-6-carboxylic acid Traditional Name: 2-[(E)-2-(2,5-dimethylphenyl)vinyl]-3-propyl-4-thioxo-chromene-6-carboxylic acid Formula: C23H22O3S MolecularWeight: 378.48398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=S)C=C(C=C2)C(=O)O)C=CC3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22O3S/c1-4-5-18-20(10-8-16-12-14(2)6-7-15(16)3)26-21-11-9-17(23(24)25)13-19(21)22(18)27/h6-13H,4-5H2,1-3H3,(H,24,25)/b10-8+