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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C19H16N2O4S2/c22-18-12-27-16-5-2-1-4-14(16)21(18)8-7-19(23)24-11-13-10-15(25-20-13)17-6-3-9-26-17/h1-6,9-10H,7-8,11-12H2