2-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]thio]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

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