[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)C)C#N

InChI

InChI=1S/C21H22N2O4S2/c1-12-15(13(2)23-20(25)16(12)11-22)5-7-19(24)27-17-6-4-14(10-18(17)26-3)21-28-8-9-29-21/h4,6,10,21H,5,7-9H2,1-3H3,(H,23,25)