2-[(2S)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=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)19-14-10-12(23-2)8-9-15(14)24-3/h4-11H,1-3H3,(H,19,20)(H,21,22)/t11-/m0/s1