phenyl 2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC(=C2C)C

InChI

InChI=1S/C18H20N2O4S3/c1-4-20-17(21)15-12(2)13(3)26-16(15)19-18(20)25-10-11-27(22,23)24-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3