2-azanyl-2-[3-oxidanylidene-4-(phenylmethyl)-1,2-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-oxidanylidene-4-(phenylmethyl)-1,2-thiazol-5-yl]ethanoic acid Openeye Name: 2-amino-2-(4-benzyl-3-oxo-isothiazol-5-yl)acetic acid CAS Name: 2-amino-2-[3-oxo-4-(phenylmethyl)-5-isothiazolyl]acetic acid IUPAC Name: 2-amino-2-(4-benzyl-3-oxo-1,2-thiazol-5-yl)acetic acid Traditional Name: 2-amino-2-(4-benzyl-3-keto-4-isothiazolin-5-yl)acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(SNC2=O)C(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(SNC2=O)C(C(=O)O)N

InChI

InChI=1S/C12H12N2O3S/c13-9(12(16)17)10-8(11(15)14-18-10)6-7-4-2-1-3-5-7/h1-5,9H,6,13H2,(H,14,15)(H,16,17)