3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide Openeye Name: 3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide CAS Name: 3,4,5-trimethoxy-N-(3-prop-2-ynyl-2-benzo[g][1,3]benzothiazolylidene)benzamide IUPAC Name: 3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide Traditional Name: 3,4,5-trimethoxy-N-(3-propargylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide Formula: C24H20N2O4S MolecularWeight: 432.4916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C4=CC=CC=C4C=C3)CC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C4=CC=CC=C4C=C3)CC#C

InChI

InChI=1S/C24H20N2O4S/c1-5-12-26-18-11-10-15-8-6-7-9-17(15)22(18)31-24(26)25-23(27)16-13-19(28-2)21(30-4)20(14-16)29-3/h1,6-11,13-14H,12H2,2-4H3