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

Systemtic Name: ethyl 3-(6-thiophen-2-ylcarbonylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl)propanoate Openeye Name: ethyl 3-[6-(thiophene-2-carbonylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate CAS Name: 3-[6-[oxo(thiophen-2-yl)methyl]imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-(thiophene-2-carbonylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate Traditional Name: 3-[6-(2-thenoylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propionic acid ethyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC3=C(C=C2SC1=NC(=O)C4=CC=CS4)OCO3

Isomeric SMILES

CCOC(=O)CCN1C2=CC3=C(C=C2SC1=NC(=O)C4=CC=CS4)OCO3

InChI

InChI=1S/C18H16N2O5S2/c1-2-23-16(21)5-6-20-11-8-12-13(25-10-24-12)9-15(11)27-18(20)19-17(22)14-4-3-7-26-14/h3-4,7-9H,2,5-6,10H2,1H3