N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Formula: C17H13N3O4S2 MolecularWeight: 387.43282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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