[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H19ClO3S MolecularWeight: 398.90246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClO3S/c1-14-9-11-17(12-10-14)22(25)15(2)26-20(24)13-27-19-8-4-6-16-5-3-7-18(23)21(16)19/h3-12,15H,13H2,1-2H3/t15-/m0/s1