2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]terephthalic acid Openeye Name: 2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]terephthalic acid CAS Name: 2-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]terephthalic acid IUPAC Name: 2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]terephthalic acid Traditional Name: 2-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]terephthalic acid Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16N2O6S/c22-16(20-13-9-11(18(24)25)5-6-12(13)19(26)27)7-8-21-14-3-1-2-4-15(14)28-10-17(21)23/h1-6,9H,7-8,10H2,(H,20,22)(H,24,25)(H,26,27)