2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]sulfonyl-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C25H25N3O5S2 MolecularWeight: 511.6131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43)S2)CC#C

InChI

InChI=1S/C25H25N3O5S2/c1-3-13-28-21-12-11-19(33-4-2)15-22(21)34-25(28)26-23(29)16-35(31,32)17-24(30)27-14-7-9-18-8-5-6-10-20(18)27/h1,5-6,8,10-12,15H,4,7,9,13-14,16-17H2,2H3