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

Systemtic Name: 2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetate IUPAC Name: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetate Formula: C15H15N2O3S2- MolecularWeight: 335.4212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)[O-])SC3=C2CCCC3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)[O-])SC3=C2CCCC3

InChI

InChI=1S/C15H16N2O3S2/c1-2-7-17-14(20)12-9-5-3-4-6-10(9)22-13(12)16-15(17)21-8-11(18)19/h2H,1,3-8H2,(H,18,19)/p-1