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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S2/c24-19-14-27-18-9-5-4-8-17(18)23(19)11-10-20(25)26-12-16-13-28-21(22-16)15-6-2-1-3-7-15/h1-9,13H,10-12,14H2