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

Systemtic Name: ethyl 4-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

InChI

InChI=1S/C16H20N2O3S2/c1-2-21-12(19)8-5-9-22-16-17-14(20)13-10-6-3-4-7-11(10)23-15(13)18-16/h2-9H2,1H3,(H,17,18,20)