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

Systemtic Name: 2-methylpropyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]ethanoate Openeye Name: isobutyl 2-[3-(4-thioxochromen-2-yl)phenyl]acetate CAS Name: 2-[3-(4-sulfanylidene-1-benzopyran-2-yl)phenyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-(4-sulfanylidenechromen-2-yl)phenyl]acetate Traditional Name: 2-[3-(4-thioxochromen-2-yl)phenyl]acetic acid isobutyl ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=CC=CC=C3O2

Isomeric SMILES

CC(C)COC(=O)CC1=CC=CC(=C1)C2=CC(=S)C3=CC=CC=C3O2

InChI

InChI=1S/C21H20O3S/c1-14(2)13-23-21(22)11-15-6-5-7-16(10-15)19-12-20(25)17-8-3-4-9-18(17)24-19/h3-10,12,14H,11,13H2,1-2H3