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

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-2-oxocyclopentyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OC3CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O[C@H]3CCCC3=O

InChI

InChI=1S/C21H21NO4S/c1-14-9-11-15(12-10-14)22-20(24)13-27-19-8-3-2-5-16(19)21(25)26-18-7-4-6-17(18)23/h2-3,5,8-12,18H,4,6-7,13H2,1H3,(H,22,24)/t18-/m0/s1