2-[[2,4-bis(oxidanylidene)-7-phenyl-thiochromen-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-7-phenyl-thiochromen-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(2,4-dioxo-7-phenyl-thiochromane-3-carbonyl)amino]acetic acid CAS Name: 2-[[(2,4-dioxo-7-phenyl-1-benzothiopyran-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(2,4-dioxo-7-phenylthiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(2,4-diketo-7-phenyl-thiochroman-3-carbonyl)amino]acetic acid Formula: C18H13NO5S MolecularWeight: 355.36452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(C(=O)S3)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(C(=O)S3)C(=O)NCC(=O)O

InChI

InChI=1S/C18H13NO5S/c20-14(21)9-19-17(23)15-16(22)12-7-6-11(8-13(12)25-18(15)24)10-4-2-1-3-5-10/h1-8,15H,9H2,(H,19,23)(H,20,21)