(3-butyl-2-oxidanylidene-chromen-4-yl) 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C21H19ClO4S MolecularWeight: 402.89116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClO4S/c1-2-3-6-17-20(16-7-4-5-8-18(16)25-21(17)24)26-19(23)13-27-15-11-9-14(22)10-12-15/h4-5,7-12H,2-3,6,13H2,1H3