2-[2-(azepan-1-ylcarbonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[2-(azepane-1-carbonyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[2-[1-azepanyl(oxo)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[2-(azepane-1-carbonyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[2-(azepane-1-carbonyl)-3-keto-1,4-benzothiazin-4-yl]acetic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2C(=O)N(C3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2C(=O)N(C3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C17H20N2O4S/c20-14(21)11-19-12-7-3-4-8-13(12)24-15(17(19)23)16(22)18-9-5-1-2-6-10-18/h3-4,7-8,15H,1-2,5-6,9-11H2,(H,20,21)