3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[5-[(methylthio)methyl]-2-furanyl]methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[5-[(methylthio)methyl]-2-furyl]methylamino]-3-(2-thienyl)propionic acid Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CSCC1=CC=C(O1)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C14H17NO3S2/c1-19-9-11-5-4-10(18-11)8-15-12(7-14(16)17)13-3-2-6-20-13/h2-6,12,15H,7-9H2,1H3,(H,16,17)