2-[6-ethoxycarbonyl-3-oxidanylidene-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-ethoxycarbonyl-3-oxidanylidene-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-ethoxycarbonyl-3-oxo-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[6-ethoxycarbonyl-3-oxo-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[6-ethoxycarbonyl-3-oxo-2-[(4-phenoxyphenyl)methyl]-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[6-carbethoxy-3-keto-2-(4-phenoxybenzyl)-1,4-benzothiazin-4-yl]acetic acid Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2CC(=O)O)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2CC(=O)O)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H23NO6S/c1-2-32-26(31)18-10-13-22-21(15-18)27(16-24(28)29)25(30)23(34-22)14-17-8-11-20(12-9-17)33-19-6-4-3-5-7-19/h3-13,15,23H,2,14,16H2,1H3,(H,28,29)