octyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]ethanoate

Systemtic Name: octyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]ethanoate Openeye Name: octyl 2-[3-(4-thioxochromen-2-yl)phenyl]acetate CAS Name: 2-[3-(4-sulfanylidene-1-benzopyran-2-yl)phenyl]acetic acid octyl ester IUPAC Name: octyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]acetate Traditional Name: 2-[3-(4-thioxochromen-2-yl)phenyl]acetic acid octyl ester Formula: C25H28O3S MolecularWeight: 408.55302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=CC=CC=C3O2

Isomeric SMILES

CCCCCCCCOC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=CC=CC=C3O2

InChI

InChI=1S/C25H28O3S/c1-2-3-4-5-6-9-15-27-25(26)17-19-11-10-12-20(16-19)23-18-24(29)21-13-7-8-14-22(21)28-23/h7-8,10-14,16,18H,2-6,9,15,17H2,1H3