sodium 2-[[2,4-bis(oxidanylidene)-7-pyridin-3-yl-thiochromen-3-yl]carbonylamino]ethanoate

Systemtic Name: sodium 2-[[2,4-bis(oxidanylidene)-7-pyridin-3-yl-thiochromen-3-yl]carbonylamino]ethanoate Openeye Name: sodium 2-[[2,4-dioxo-7-(3-pyridyl)thiochromane-3-carbonyl]amino]acetate CAS Name: sodium 2-[[[2,4-dioxo-7-(3-pyridinyl)-1-benzothiopyran-3-yl]-oxomethyl]amino]acetate IUPAC Name: sodium 2-[(2,4-dioxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetate Traditional Name: sodium 2-[[2,4-diketo-7-(3-pyridyl)thiochroman-3-carbonyl]amino]acetate Formula: C17H11N2NaO5S MolecularWeight: 378.33441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC3=C(C=C2)C(=O)C(C(=O)S3)C(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)C2=CC3=C(C=C2)C(=O)C(C(=O)S3)C(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C17H12N2O5S.Na/c20-13(21)8-19-16(23)14-15(22)11-4-3-9(6-12(11)25-17(14)24)10-2-1-5-18-7-10;/h1-7,14H,8H2,(H,19,23)(H,20,21);/q;+1/p-1