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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)-6-methyl-quinolin-4-yl]-2-(1,3-dithian-2-ylidene)ethanoate Openeye Name: ethyl 2-[2-(4-chlorophenyl)-6-methyl-4-quinolyl]-2-(1,3-dithian-2-ylidene)acetate CAS Name: 2-[2-(4-chlorophenyl)-6-methyl-4-quinolinyl]-2-(1,3-dithian-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)-6-methylquinolin-4-yl]-2-(1,3-dithian-2-ylidene)acetate Traditional Name: 2-[2-(4-chlorophenyl)-6-methyl-4-quinolyl]-2-(1,3-dithian-2-ylidene)acetic acid ethyl ester Formula: C24H22ClNO2S2 MolecularWeight: 456.01998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClNO2S2/c1-3-28-23(27)22(24-29-11-4-12-30-24)19-14-21(16-6-8-17(25)9-7-16)26-20-10-5-15(2)13-18(19)20/h5-10,13-14H,3-4,11-12H2,1-2H3