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

Systemtic Name: methyl 3-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Isomeric SMILES

COC(=O)CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

InChI

InChI=1S/C14H16N2O3S2/c1-19-10(17)6-7-20-14-15-12(18)11-8-4-2-3-5-9(8)21-13(11)16-14/h2-7H2,1H3,(H,15,16,18)