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

Systemtic Name: ethyl 2-[[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-methyl-4-oxo-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[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-[[4-keto-5-methyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C22H24N2O3S2/c1-4-27-17(25)12-28-22-23-20-19(18-14(3)6-5-7-16(18)29-20)21(26)24(22)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3