[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-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-(m-toluidino)ethyl] ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3S/c1-14-6-3-9-17(12-14)24-22(26)15(2)27-20(25)13-28-19-11-5-8-16-7-4-10-18(23)21(16)19/h3-12,15H,13H2,1-2H3,(H,24,26)/t15-/m0/s1