butyl 2-[3-(6-methyl-4-sulfanylidene-chromen-2-yl)phenyl]ethanoate

Systemtic Name: butyl 2-[3-(6-methyl-4-sulfanylidene-chromen-2-yl)phenyl]ethanoate Openeye Name: butyl 2-[3-(6-methyl-4-thioxo-chromen-2-yl)phenyl]acetate CAS Name: 2-[3-(6-methyl-4-sulfanylidene-1-benzopyran-2-yl)phenyl]acetic acid butyl ester IUPAC Name: butyl 2-[3-(6-methyl-4-sulfanylidenechromen-2-yl)phenyl]acetate Traditional Name: 2-[3-(6-methyl-4-thioxo-chromen-2-yl)phenyl]acetic acid butyl ester Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCOC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C22H22O3S/c1-3-4-10-24-22(23)13-16-6-5-7-17(12-16)20-14-21(26)18-11-15(2)8-9-19(18)25-20/h5-9,11-12,14H,3-4,10,13H2,1-2H3