2-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl]thio]benzoate Formula: C19H20NO5S- MolecularWeight: 374.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C19H21NO5S/c1-12(26-17-7-5-4-6-14(17)19(22)23)18(21)20-11-13-8-9-15(24-2)16(10-13)25-3/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)/p-1/t12-/m0/s1