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

Systemtic Name: 2-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl]thio]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-12(24-16-10-6-4-8-14(16)18(21)22)17(20)19-11-13-7-3-5-9-15(13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20)(H,21,22)/t12-/m0/s1