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

Systemtic Name: (4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic 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 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-13-7-8-14(2)16(11-13)27-10-9-19(25)28-12-18-23-21(26)20-15-5-3-4-6-17(15)29-22(20)24-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,23,24,26)