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

Systemtic Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C18H19NO5S/c1-11(25-16-7-5-4-6-13(16)18(21)22)17(20)19-12-8-9-14(23-2)15(10-12)24-3/h4-11H,1-3H3,(H,19,20)(H,21,22)/p-1/t11-/m0/s1