4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid

Systemtic Name: 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Openeye Name: 4-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]benzoic acid CAS Name: 4-[[5-[(methylthio)methyl]-2-furanyl]methylamino]benzoic acid IUPAC Name: 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Traditional Name: 4-[[5-[(methylthio)methyl]-2-furyl]methylamino]benzoic acid Formula: C14H15NO3S MolecularWeight: 277.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15NO3S/c1-19-9-13-7-6-12(18-13)8-15-11-4-2-10(3-5-11)14(16)17/h2-7,15H,8-9H2,1H3,(H,16,17)