ethyl 2-[2-(1,3-benzodioxol-5-yl)-6-methyl-quinolin-4-yl]-2-(1,3-dithian-2-ylidene)ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-yl)-6-methyl-quinolin-4-yl]-2-(1,3-dithian-2-ylidene)ethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolyl]-2-(1,3-dithian-2-ylidene)acetate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolinyl]-2-(1,3-dithian-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-2-(1,3-dithian-2-ylidene)acetate Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolyl]-2-(1,3-dithian-2-ylidene)acetic acid ethyl ester Formula: C25H23NO4S2 MolecularWeight: 465.58442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1SCCCS1)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C(=C1SCCCS1)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23NO4S2/c1-3-28-24(27)23(25-31-9-4-10-32-25)18-13-20(26-19-7-5-15(2)11-17(18)19)16-6-8-21-22(12-16)30-14-29-21/h5-8,11-13H,3-4,9-10,14H2,1-2H3