2-[(2E)-2-[5-(acetamidomethyl)-3-oxidanylidene-pyridin-2-ylidene]-3H-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[(2E)-2-[5-(acetamidomethyl)-3-oxidanylidene-pyridin-2-ylidene]-3H-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[(2E)-2-[5-(acetamidomethyl)-3-oxo-2-pyridylidene]-3H-thiazol-4-yl]acetic acid CAS Name: 2-[(2E)-2-[5-(acetamidomethyl)-3-oxo-2-pyridinylidene]-3H-thiazol-4-yl]acetic acid IUPAC Name: 2-[(2E)-2-[5-(acetamidomethyl)-3-oxopyridin-2-ylidene]-3H-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[(2E)-2-[5-(acetamidomethyl)-3-keto-2-pyridylidene]-4-thiazolin-4-yl]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=O)C(=C2NC(=CS2)CC(=O)O)N=C1

Isomeric SMILES

CC(=O)NCC1=CC(=O)/C(=C\2/NC(=CS2)CC(=O)O)/N=C1

InChI

InChI=1S/C13H13N3O4S/c1-7(17)14-4-8-2-10(18)12(15-5-8)13-16-9(6-21-13)3-11(19)20/h2,5-6,16H,3-4H2,1H3,(H,14,17)(H,19,20)/b13-12+