methyl 2-[(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 2-[(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 2-[(4-oxo-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 2-[(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 2-[(4-keto-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C14H12N2O3S2 MolecularWeight: 320.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C3=CC=CC=C3S2)C(=O)N1

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C3=CC=CC=C3S2)C(=O)N1

InChI

InChI=1S/C14H12N2O3S2/c1-7(13(18)19-2)20-14-15-11(17)10-8-5-3-4-6-9(8)21-12(10)16-14/h3-7H,1-2H3,(H,15,16,17)