7-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzofuran-2-carboxamide CAS Name: 7-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-benzofurancarboxamide IUPAC Name: 7-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-7-methoxy-coumarilamide Formula: C21H16N2O5S2 MolecularWeight: 440.49214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C

InChI

InChI=1S/C21H16N2O5S2/c1-4-10-23-15-9-8-14(30(3,25)26)12-18(15)29-21(23)22-20(24)17-11-13-6-5-7-16(27-2)19(13)28-17/h1,5-9,11-12H,10H2,2-3H3