N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S2/c1-3-31-9-8-25-17-6-4-15(23-13(2)27)12-19(17)33-22(25)24-21(28)20-11-14-10-16(26(29)30)5-7-18(14)32-20/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,27)