[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H21NO3S2/c1-13-3-9-17(10-4-13)21-18(22)14(2)24-19(23)15-5-7-16(8-6-15)20-25-11-12-26-20/h3-10,14,20H,11-12H2,1-2H3,(H,21,22)/t14-/m0/s1