2-azanyl-2-(3-oxidanylidene-4-phenethyl-1,2-thiazol-5-yl)ethanoic acid

Systemtic Name: 2-azanyl-2-(3-oxidanylidene-4-phenethyl-1,2-thiazol-5-yl)ethanoic acid Openeye Name: 2-amino-2-(3-oxo-4-phenethyl-isothiazol-5-yl)acetic acid CAS Name: 2-amino-2-(3-oxo-4-phenethyl-5-isothiazolyl)acetic acid IUPAC Name: 2-amino-2-(3-oxo-4-phenethyl-1,2-thiazol-5-yl)acetic acid Traditional Name: 2-amino-2-(3-keto-4-phenethyl-4-isothiazolin-5-yl)acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(SNC2=O)C(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(SNC2=O)C(C(=O)O)N

InChI

InChI=1S/C13H14N2O3S/c14-10(13(17)18)11-9(12(16)15-19-11)7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,14H2,(H,15,16)(H,17,18)