3-(furan-2-ylmethylamino)-4-thiophen-2-yl-benzoic acid; [methyl(sulfino)amino]methane

Systemtic Name: 3-(furan-2-ylmethylamino)-4-thiophen-2-yl-benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 3-(2-furylmethylamino)-4-(2-thienyl)benzoic acid; [methyl(sulfino)amino]methane CAS Name: 3-(2-furanylmethylamino)-4-thiophen-2-ylbenzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 3-(furan-2-ylmethylamino)-4-thiophen-2-ylbenzoic acid; [methyl(sulfino)amino]methane Traditional Name: 3-(2-furfurylamino)-4-(2-thienyl)benzoic acid; [methyl(sulfino)amino]methane Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.C1=COC(=C1)CNC2=C(C=CC(=C2)C(=O)O)C3=CC=CS3

Isomeric SMILES

CN(C)S(=O)O.C1=COC(=C1)CNC2=C(C=CC(=C2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H13NO3S.C2H7NO2S/c18-16(19)11-5-6-13(15-4-2-8-21-15)14(9-11)17-10-12-3-1-7-20-12;1-3(2)6(4)5/h1-9,17H,10H2,(H,18,19);1-2H3,(H,4,5)