(5-phenyl-1,3-oxazol-2-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (5-phenyloxazol-2-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (5-phenyloxazol-2-yl)methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S/c24-20-14-28-18-9-5-4-8-16(18)23(20)11-10-21(25)26-13-19-22-12-17(27-19)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2