ethyl 3-(6-nitro-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: ethyl 3-(6-nitro-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-[6-nitro-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-nitro-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-nitro-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-nitro-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H15N3O5S2/c1-2-25-15(21)7-8-19-12-6-5-11(20(23)24)10-14(12)27-17(19)18-16(22)13-4-3-9-26-13/h3-6,9-10H,2,7-8H2,1H3