1,3-benzodioxol-5-yl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15NO5S/c20-17-10-25-16-4-2-1-3-13(16)19(17)8-7-18(21)24-12-5-6-14-15(9-12)23-11-22-14/h1-6,9H,7-8,10-11H2