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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=CC=CC=C2C(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=CC=CC=C2C(=O)O

InChI

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