[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H21ClO3S MolecularWeight: 412.92904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C

InChI

InChI=1S/C23H21ClO3S/c1-14-10-11-18(12-15(14)2)23(26)16(3)27-21(25)13-28-20-9-5-7-17-6-4-8-19(24)22(17)20/h4-12,16H,13H2,1-3H3/t16-/m0/s1