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

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C17H16N4O5S2/c1-10(22)18-11-3-4-12-14(9-11)28-17(20(12)7-8-26-2)19-16(23)13-5-6-15(27-13)21(24)25/h3-6,9H,7-8H2,1-2H3,(H,18,22)