ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate

Systemtic Name: ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate Openeye Name: ethyl 6-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate CAS Name: 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate Traditional Name: 6-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoic acid ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S/c1-4-27-20(26)13-9-6-10-14-25-19-15-23(2,3)28-16-18(19)22(29)24-21(25)17-11-7-5-8-12-17/h5,7-8,11-12H,4,6,9-10,13-16H2,1-3H3