3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]ethyl]amino]benzoate IUPAC Name: 3-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate Formula: C17H13N2O4S- MolecularWeight: 341.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)[C@@H](S2)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c20-15(18-11-5-3-4-10(8-11)17(22)23)9-14-16(21)19-12-6-1-2-7-13(12)24-14/h1-8,14H,9H2,(H,18,20)(H,19,21)(H,22,23)/p-1/t14-/m0/s1