2-[[(5S)-5-methyl-3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(5S)-5-methyl-3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(5S)-5-methyl-4-oxo-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[(5S)-5-methyl-3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[(5S)-5-methyl-3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(5S)-4-keto-5-methyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C20H19N2O3S2- MolecularWeight: 399.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)C)SCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)C)SCC(=O)[O-]

InChI

InChI=1S/C20H20N2O3S2/c1-11-6-8-13(9-7-11)22-19(25)17-16-12(2)4-3-5-14(16)27-18(17)21-20(22)26-10-15(23)24/h6-9,12H,3-5,10H2,1-2H3,(H,23,24)/p-1/t12-/m0/s1