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2-[5-(methylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid

2-[5-(methylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid

Systemtic Name:2-[5-(methylsulfanylmethyl)furan-2-yl]-2-phenylazanyl-butanoic acid
Openeye Name:2-anilino-2-[5-(methylsulfanylmethyl)-2-furyl]butanoic acid
CAS Name:2-anilino-2-[5-[(methylthio)methyl]-2-furanyl]butanoic acid
IUPAC Name:2-anilino-2-[5-(methylsulfanylmethyl)furan-2-yl]butanoic acid
Traditional Name:2-anilino-2-[5-[(methylthio)methyl]-2-furyl]butyric acid
Formula: C16H19NO3S
MolecularWeight: 305.39196
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(O1)CSC)(C(=O)O)NC2=CC=CC=C2


Isomeric SMILES

CCC(C1=CC=C(O1)CSC)(C(=O)O)NC2=CC=CC=C2


InChI

InChI=1S/C16H19NO3S/c1-3-16(15(18)19,17-12-7-5-4-6-8-12)14-10-9-13(20-14)11-21-2/h4-10,17H,3,11H2,1-2H3,(H,18,19)


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