phenyl 2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C17H16N2O4S3 MolecularWeight: 408.51494

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C17H16N2O4S3/c1-2-9-19-16(20)14-8-10-24-15(14)18-17(19)25-11-12-26(21,22)23-13-6-4-3-5-7-13/h2-8,10H,1,9,11-12H2