2,5-bis(chloranyl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide

Systemtic Name: 2,5-bis(chloranyl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide Openeye Name: 2,5-dichloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide CAS Name: 2,5-dichloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-thiophenecarboxamide IUPAC Name: 2,5-dichloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide Traditional Name: 2,5-dichloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide Formula: C16H13Cl2N3O4S2 MolecularWeight: 446.32812

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O4S2/c1-2-25-6-5-20-11-4-3-9(21(23)24)7-12(11)26-16(20)19-15(22)10-8-13(17)27-14(10)18/h3-4,7-8H,2,5-6H2,1H3