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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C20H13N3O5S3 MolecularWeight: 471.52932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C20H13N3O5S3/c1-3-8-22-15-6-5-14(31(2,27)28)11-17(15)30-20(22)21-19(24)18-10-12-9-13(23(25)26)4-7-16(12)29-18/h1,4-7,9-11H,8H2,2H3