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

Systemtic Name: 3-methyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Openeye Name: 3-methyl-4-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]benzoic acid CAS Name: 3-methyl-4-[[5-[(methylthio)methyl]-2-furanyl]methylamino]benzoic acid IUPAC Name: 3-methyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Traditional Name: 3-methyl-4-[[5-[(methylthio)methyl]-2-furyl]methylamino]benzoic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCC2=CC=C(O2)CSC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCC2=CC=C(O2)CSC

InChI

InChI=1S/C15H17NO3S/c1-10-7-11(15(17)18)3-6-14(10)16-8-12-4-5-13(19-12)9-20-2/h3-7,16H,8-9H2,1-2H3,(H,17,18)