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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C19H17N2O4S2- MolecularWeight: 401.47928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)[O-])SC4=C3CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)[O-])SC4=C3CCCC4

InChI

InChI=1S/C19H18N2O4S2/c1-25-12-8-6-11(7-9-12)21-18(24)16-13-4-2-3-5-14(13)27-17(16)20-19(21)26-10-15(22)23/h6-9H,2-5,10H2,1H3,(H,22,23)/p-1