2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(veratrylamino)ethyl]thio]benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C18H19NO5S/c1-23-14-8-7-12(9-15(14)24-2)10-19-17(20)11-25-16-6-4-3-5-13(16)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)