N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide CAS Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])N2CC#C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C17H13N3O4S2/c1-3-10-19-15-11(24-4-2)6-5-7-12(15)26-17(19)18-16(21)13-8-9-14(25-13)20(22)23/h1,5-9H,4,10H2,2H3