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

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-7-(phenylmethyl)thiochromen-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(7-benzyl-2,4-dioxo-thiochromane-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2,4-dioxo-7-(phenylmethyl)-1-benzothiopyran-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-benzyl-2,4-dioxothiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-benzyl-2,4-diketo-thiochroman-3-carbonyl)amino]acetic acid Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)C(=O)C(C(=O)S3)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)C(=O)C(C(=O)S3)C(=O)NCC(=O)O

InChI

InChI=1S/C19H15NO5S/c21-15(22)10-20-18(24)16-17(23)13-7-6-12(9-14(13)26-19(16)25)8-11-4-2-1-3-5-11/h1-7,9,16H,8,10H2,(H,20,24)(H,21,22)