2-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl]thio]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-13(25-17-6-4-3-5-16(17)19(22)23)18(21)20-12-11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23)/t13-/m0/s1