[(1S)-2-oxidanylidenecyclohexyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C22H23NO4S/c1-15-10-12-16(13-11-15)23-21(25)14-28-20-9-5-2-6-17(20)22(26)27-19-8-4-3-7-18(19)24/h2,5-6,9-13,19H,3-4,7-8,14H2,1H3,(H,23,25)/t19-/m0/s1