ethyl 3-[6-(2-methylpropanoylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate

Systemtic Name: ethyl 3-[6-(2-methylpropanoylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate Openeye Name: ethyl 3-[6-(2-methylpropanoylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate CAS Name: 3-[6-(2-methyl-1-oxopropyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-(2-methylpropanoylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate Traditional Name: 3-(6-isobutyrylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl)propionic acid ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC3=C(C=C2SC1=NC(=O)C(C)C)OCO3

Isomeric SMILES

CCOC(=O)CCN1C2=CC3=C(C=C2SC1=NC(=O)C(C)C)OCO3

InChI

InChI=1S/C17H20N2O5S/c1-4-22-15(20)5-6-19-11-7-12-13(24-9-23-12)8-14(11)25-17(19)18-16(21)10(2)3/h7-8,10H,4-6,9H2,1-3H3