methyl 2-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-(5-chloro-1-oxo-indan-2-yl)sulfanylacetate CAS Name: 2-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-chloro-1-keto-indan-2-yl)thio]acetic acid methyl ester Formula: C12H11ClO3S MolecularWeight: 270.73194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1CC2=C(C1=O)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)CSC1CC2=C(C1=O)C=CC(=C2)Cl

InChI

InChI=1S/C12H11ClO3S/c1-16-11(14)6-17-10-5-7-4-8(13)2-3-9(7)12(10)15/h2-4,10H,5-6H2,1H3