2-benzamido-3-[3-(4-oxidanylidene-1,3-benzothiazin-2-yl)phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[3-(4-oxidanylidene-1,3-benzothiazin-2-yl)phenyl]propanoic acid Openeye Name: 2-benzamido-3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]propanoic acid CAS Name: 2-benzamido-3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]propanoic acid Traditional Name: 2-benzamido-3-[3-(4-keto-1,3-benzothiazin-2-yl)phenyl]propionic acid Formula: C24H18N2O4S MolecularWeight: 430.47572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC(=C2)C3=NC(=O)C4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC(=C2)C3=NC(=O)C4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C24H18N2O4S/c27-21(16-8-2-1-3-9-16)25-19(24(29)30)14-15-7-6-10-17(13-15)23-26-22(28)18-11-4-5-12-20(18)31-23/h1-13,19H,14H2,(H,25,27)(H,29,30)