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

Systemtic Name: 2-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)ethyl benzoate Openeye Name: 2-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)ethyl benzoate CAS Name: benzoic acid 2-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)ethyl ester IUPAC Name: 2-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)ethyl benzoate Traditional Name: benzoic acid 2-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)ethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=S)N=C(N2CCOC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=S)N=C(N2CCOC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H24N2O3S/c1-24(2)15-20-19(16-29-24)22(30)25-21(17-9-5-3-6-10-17)26(20)13-14-28-23(27)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3