N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C20H19N5O7S MolecularWeight: 473.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O7S/c1-3-32-7-6-23-17-5-4-14(21-12(2)26)10-18(17)33-20(23)22-19(27)13-8-15(24(28)29)11-16(9-13)25(30)31/h4-5,8-11H,3,6-7H2,1-2H3,(H,21,26)