2-methoxyethyl 4-[[(2S)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate

Systemtic Name: 2-methoxyethyl 4-[[(2S)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate Openeye Name: 2-methoxyethyl 4-[[(2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propyl]amino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]propanoyl]amino]benzoic acid 2-methoxyethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)C(=O)OCCOC

Isomeric SMILES

C[C@H]([C@@H]1C(=O)NC2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)C(=O)OCCOC

InChI

InChI=1S/C21H22N2O5S/c1-13(18-20(25)23-16-5-3-4-6-17(16)29-18)19(24)22-15-9-7-14(8-10-15)21(26)28-12-11-27-2/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)(H,23,25)/t13-,18-/m1/s1