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

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

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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=CC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20O3S/c1-3-5-17-19(10-8-15-7-4-6-14(2)12-15)25-20-11-9-16(22(23)24)13-18(20)21(17)26/h4,6-13H,3,5H2,1-2H3,(H,23,24)/b10-8+