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

Systemtic Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide CAS Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide Traditional Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C17H17N3O5S2/c1-3-25-11-4-5-12-14(10-11)27-17(19(12)8-9-24-2)18-16(21)13-6-7-15(26-13)20(22)23/h4-7,10H,3,8-9H2,1-2H3