(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C21H16O4S2 MolecularWeight: 396.47934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CSCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CSCC4=CC=CS4

InChI

InChI=1S/C21H16O4S2/c22-19-10-15(11-24-20(23)13-26-12-16-5-3-9-27-16)21-17-6-2-1-4-14(17)7-8-18(21)25-19/h1-10H,11-13H2