[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C23H21ClO6S MolecularWeight: 460.92724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C23H21ClO6S/c1-27-18-10-15(11-19(28-2)23(18)29-3)17(25)12-30-21(26)13-31-20-9-5-7-14-6-4-8-16(24)22(14)20/h4-11H,12-13H2,1-3H3