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(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name:(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate
Openeye Name:(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
CAS Name:2-[(2,5-dimethylphenyl)thio]acetic acid (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester
IUPAC Name:(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
Traditional Name:2-[(2,5-dimethylphenyl)thio]acetic acid (4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester
Formula: C21H22N2O3S2
MolecularWeight: 414.54098
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2


Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2


InChI

InChI=1S/C21H22N2O3S2/c1-12-7-8-13(2)16(9-12)27-11-18(24)26-10-17-22-20(25)19-14-5-3-4-6-15(14)28-21(19)23-17/h7-9H,3-6,10-11H2,1-2H3,(H,22,23,25)


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