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

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=C(C=CC(=C4)OC)OC)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=C(C=CC(=C4)OC)OC)SC5=C3CCCC5

InChI

InChI=1S/C27H26N2O4S2/c1-16-8-10-17(11-9-16)29-26(31)24-19-6-4-5-7-23(19)35-25(24)28-27(29)34-15-21(30)20-14-18(32-2)12-13-22(20)33-3/h8-14H,4-7,15H2,1-3H3