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

Systemtic Name: 3-(4-ethylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-ethylphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-ethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N4CCCC4)SC5=C3CCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N4CCCC4)SC5=C3CCCC5

InChI

InChI=1S/C24H27N3O2S2/c1-2-16-9-11-17(12-10-16)27-23(29)21-18-7-3-4-8-19(18)31-22(21)25-24(27)30-15-20(28)26-13-5-6-14-26/h9-12H,2-8,13-15H2,1H3