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

Systemtic Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-methoxyphenyl)-6-methyl-quinolin-4-yl]ethanoate Openeye Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-methoxyphenyl)-6-methyl-4-quinolyl]acetate CAS Name: 2-(1,3-dithian-2-ylidene)-2-[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]acetate Traditional Name: 2-(1,3-dithian-2-ylidene)-2-[2-(4-methoxyphenyl)-6-methyl-4-quinolyl]acetic acid ethyl ester Formula: C25H25NO3S2 MolecularWeight: 451.6009

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S2/c1-4-29-24(27)23(25-30-12-5-13-31-25)20-15-22(17-7-9-18(28-3)10-8-17)26-21-11-6-16(2)14-19(20)21/h6-11,14-15H,4-5,12-13H2,1-3H3