2-[[(2S)-2-ethoxycarbonyl-7-methyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]amino]benzoic acid

Systemtic Name: 2-[[(2S)-2-ethoxycarbonyl-7-methyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]amino]benzoic acid Openeye Name: 2-[[(2S)-2-ethoxycarbonyl-7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl]amino]benzoic acid CAS Name: 2-[[(2S)-2-ethoxycarbonyl-7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl]amino]benzoic acid IUPAC Name: 2-[[(2S)-2-ethoxycarbonyl-7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl]amino]benzoic acid Traditional Name: 2-[[(2S)-2-carbethoxy-3-keto-7-methyl-4H-1,4-benzothiazin-2-yl]amino]benzoic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)NC2=C(S1)C=C(C=C2)C)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)[C@@]1(C(=O)NC2=C(S1)C=C(C=C2)C)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N2O5S/c1-3-26-18(25)19(21-13-7-5-4-6-12(13)16(22)23)17(24)20-14-9-8-11(2)10-15(14)27-19/h4-10,21H,3H2,1-2H3,(H,20,24)(H,22,23)/t19-/m0/s1