2-[[(E)-[2,4-bis(oxidanylidene)thiochromen-3-ylidene]methyl]amino]ethanoic acid

Systemtic Name: 2-[[(E)-[2,4-bis(oxidanylidene)thiochromen-3-ylidene]methyl]amino]ethanoic acid Openeye Name: 2-[[(E)-(2,4-dioxothiochroman-3-ylidene)methyl]amino]acetic acid CAS Name: 2-[[(E)-(2,4-dioxo-1-benzothiopyran-3-ylidene)methyl]amino]acetic acid IUPAC Name: 2-[[(E)-(2,4-dioxothiochromen-3-ylidene)methyl]amino]acetic acid Traditional Name: 2-[[(E)-(2,4-diketothiochroman-3-ylidene)methyl]amino]acetic acid Formula: C12H9NO4S MolecularWeight: 263.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CNCC(=O)O)C(=O)S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C\NCC(=O)O)/C(=O)S2

InChI

InChI=1S/C12H9NO4S/c14-10(15)6-13-5-8-11(16)7-3-1-2-4-9(7)18-12(8)17/h1-5,13H,6H2,(H,14,15)/b8-5+