2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-oxoisothiochromene-3-carbonyl)amino]acetic acid CAS Name: 2-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]acetic acid IUPAC Name: 2-[(1-oxoisothiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-ketoisothiochromene-3-carbonyl)amino]acetic acid Formula: C12H9NO4S MolecularWeight: 263.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCC(=O)O

InChI

InChI=1S/C12H9NO4S/c14-10(15)6-13-11(16)9-5-7-3-1-2-4-8(7)12(17)18-9/h1-5H,6H2,(H,13,16)(H,14,15)