2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl]thio]benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17NO5S/c20-17(11-25-16-8-4-1-5-13(16)18(21)22)19-9-12-10-23-14-6-2-3-7-15(14)24-12/h1-8,12H,9-11H2,(H,19,20)(H,21,22)/t12-/m0/s1