2-[2-(3-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(3-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-phenylsulfanylpropanoylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-[[1-oxo-3-(phenylthio)propyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[3-(phenylthio)propanoylamino]thiazol-4-yl]acetic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C14H14N2O3S2/c17-12(6-7-20-11-4-2-1-3-5-11)16-14-15-10(9-21-14)8-13(18)19/h1-5,9H,6-8H2,(H,18,19)(H,15,16,17)